Molecule Editor

Molecule ID: FYI-1014176 Edit

Molecule Structure InChIKey: QWHMHWWVYSKIHH-UHFFFAOYSA-N

Molecule Structure SMILES String: CCOC(=O)c2c1CCCCc1sc2NC(=O)c5cc4nc(c3ccco3)cc(C(F)(F)F)n4n5

Download SDF Download SVG Structure in 2D SDF:

FYI-1014176
FYIcenter.com

 35 39  0  0  0  0  0  0  0  0999 V2000
    2.4249    3.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7564    3.1632    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.5792    4.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7564    5.4285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.6585    6.5834    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.2336    6.5834    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   11.4461    7.2834    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   13.8709    1.6834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0173    0.2911    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.3867    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0867    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1499    2.2528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
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  6  1  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  2  9  1  0  0  0  0
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 21 26  1  0  0  0  0
 20 23  1  0  0  0  0
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 31 35  2  0  0  0  0
 31 32  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014176-3D
FYIcenter.com

 54 58  0  0  0  0  0  0  0  0999 V2000
    1.4445    0.2478   -1.7298 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2504    0.3433   -0.4454 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1138    1.4830   -0.5481 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3015    1.2715   -1.1827 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7987    0.1628   -1.3491 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8857    2.4991   -1.7328 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3396    3.8502   -1.6589 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0665    4.3090   -0.9936 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6382    5.7105   -1.4620 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8151    6.6902   -1.4611 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9296    6.2344   -2.4094 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1672    4.7598   -2.2874 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5123    4.0337   -3.0065 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.0643    2.4822   -2.4795 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8486    1.3777   -2.7989 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.9853    1.3479   -3.5948 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4983    2.2832   -4.1952 O   0  0  0  0  0  0  0  0  0  0  0  0
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    9.7532   -0.3620   -4.3988 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9405   -1.7036   -4.1619 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9130   -2.5699   -4.5877 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.8216   -3.8093   -4.1862 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8166   -4.7755   -4.6136 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$