Molecule Editor

Molecule ID: FYI-1003088 Edit

Molecule Structure InChIKey: BWLSLIJZWMSHLG-VQHVLOKHSA-N

Molecule Structure SMILES String: CC(OC(=O)/C=C/c1ccccc1O)c3ccc2nc(NC(=O)C(F)(F)F)sc2c3

Download SDF Download SVG Structure in 2D SDF:

FYI-1003088
FYIcenter.com

 45 47  0  0  0  0  0  0  0  0999 V2000
    6.0153    3.8933    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.4622    3.4231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4622    1.9017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0153    1.4316    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1210    2.6624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5996    2.6624    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8389    3.9800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5996    5.2976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3176    3.9800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5569    5.2976    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.2193    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.3176    2.4586    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.7798    1.1410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0973    1.9017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0973    3.4231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7798    4.1838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4149    4.1838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7324    3.4231    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   14.0500    5.7052    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   19.3202    4.1838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4149    5.7052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.0855    1.3312    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7798    5.3249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.4030    4.7543    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   15.6969    1.7116    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.3202    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.6260    1.3312    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.6260    3.9936    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.3202    5.3249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.4030    6.2757    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4149    6.8462    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4267    6.2757    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  5  1  0  0  0  0
  2  3  2  0  0  0  0
  2 16  1  0  0  0  0
  3  4  1  0  0  0  0
  3 13  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
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  6 31  1  0  0  0  0
 13 32  1  0  0  0  0
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 16 34  1  0  0  0  0
 17 35  1  0  0  0  0
 21 36  1  0  0  0  0
 22 37  1  0  0  0  0
 25 38  1  0  0  0  0
 26 39  1  0  0  0  0
 27 40  1  0  0  0  0
 28 41  1  0  0  0  0
 29 42  1  0  0  0  0
 30 43  1  0  0  0  0
 30 44  1  0  0  0  0
 30 45  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003088-3D
FYIcenter.com

 45 47  0  0  1  0  0  0  0  0999 V2000
    0.9718    0.0255   -0.0923 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5011   -0.0243   -0.0520 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.9409   -1.3728    0.2090 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8558   -1.7660    1.5067 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4569   -1.0912    2.4434 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3282   -3.1614    1.6133 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3658   -3.7740    2.8082 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8762   -5.1390    3.0472 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2831   -5.8896    4.0769 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7531   -7.1666    4.4037 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8301   -7.7116    3.7105 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4417   -6.9804    2.6941 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9722   -5.7028    2.3725 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6179   -4.9902    1.3965 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0450    0.4522   -1.3955 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3392    1.8098   -1.5895 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7445    2.2975   -2.8422 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.1069    0.6882   -6.0051 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3610    0.7472   -7.3535 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0477   -0.2287   -8.2927 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.9294   -1.4900   -2.3649 H   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$