Molecule Editor

Molecule ID: FYI-1007359 Edit

Molecule Structure InChIKey: XUFPXTAALFAYLQ-UHFFFAOYSA-N

Molecule Structure SMILES String: CCOC(=O)Oc1cc(CCNC(=O)C(CCSC)NC(C)=O)ccc1OC(=O)OCCc2ccccc2

Download SDF Download SVG Structure in 2D SDF:

FYI-1007359
FYIcenter.com

 38 39  0  0  0  0  0  0  0  0999 V2000
   20.6114    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8239    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0363    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0363    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8239    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6114    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3990    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1866    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9742    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7616    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7616    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1244    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2747    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    4.2000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    7.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    7.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    9.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492   11.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  3  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  6  1  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 12 10  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  2  0  0  0  0
 15 14  1  0  0  0  0
 16 15  2  0  0  0  0
 17 16  1  0  0  0  0
 18 17  2  0  0  0  0
 18 13  1  0  0  0  0
 19 16  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  1  0  0  0  0
 22 21  1  0  0  0  0
 23 22  2  0  0  0  0
 24 22  1  0  0  0  0
 25 24  1  0  0  0  0
 26 25  1  0  0  0  0
 27 26  1  0  0  0  0
 28 27  1  0  0  0  0
 29 24  1  0  0  0  0
 30 29  1  0  0  0  0
 31 30  2  0  0  0  0
 32 30  1  0  0  0  0
 33 14  1  0  0  0  0
 34 33  1  0  0  0  0
 35 34  2  0  0  0  0
 36 34  1  0  0  0  0
 37 36  1  0  0  0  0
 38 37  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007359-3D
FYIcenter.com

 72 73  0  0  1  0  0  0  0  0999 V2000
    2.3662    0.5509   -1.0075 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5021    1.1082    0.3981 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.4597    0.4018    1.4887 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.2633   -0.3637    2.9973 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1446    0.6574    2.6195 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5022    0.6264    2.9567 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4073    1.6889    2.3735 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8437    1.2043    2.0990 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6948    2.2421    1.5553 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.3616    3.1083    2.3916 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2989    3.0298    3.6207 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2707    4.1272    1.6714 C   0  0  3  0  0  0  0  0  0  0  0  0
   13.3665    5.3931    2.5349 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1882    6.4804    1.8546 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2785    7.9449    2.9307 S   0  0  0  0  0  0  0  0  0  0  0  0
   15.3332    8.9740    1.8852 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5897    3.5412    1.4632 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.8886    2.7757    0.3587 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3042    2.2577    0.3309 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0761    2.5390   -0.5273 O   0  0  0  0  0  0  0  0  0  0  0  0
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 38 72  1  0  0  0  0
M  END
$$$$