Molecule Editor

Molecule ID: FYI-1002511 Edit

Molecule Structure InChIKey: QLWFBNZSEDOIRZ-ZHYHTXNHSA-N

Molecule Structure SMILES String: COC(=O)/C(/C=C/c1ccccc1)=C\N(\C(NC2CCCCCC2)=C(S)/C=O)C(C)C

Download SDF Download SVG Structure in 2D SDF:

FYI-1002511
FYIcenter.com

 31 32  0  0  0  0  0  0  0  0999 V2000
    7.8984    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9103    1.2122    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1174    2.1114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3364    1.4076    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1174    3.5190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.6793    3.5190    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4603    4.2228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4603    5.6303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6793    6.3342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6793    7.7417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2414    6.3342    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.2414    3.5190    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0223    4.2228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.6793    2.1114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4603    1.4076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8793    1.7193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.5554    6.3342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5554    7.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7744    8.4456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9934    7.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9934    6.3342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7744    5.6303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  2  0  0  0  0
  5  3  1  0  0  0  0
  6  5  2  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 12  9  1  0  0  0  0
 13  8  1  0  0  0  0
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 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
 20 14  1  0  0  0  0
 21  7  1  0  0  0  0
 22 21  1  0  0  0  0
 23 21  1  0  0  0  0
 24  5  1  0  0  0  0
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 26 25  1  0  0  0  0
 27 26  2  0  0  0  0
 28 27  1  0  0  0  0
 29 28  2  0  0  0  0
 30 29  1  0  0  0  0
 31 30  2  0  0  0  0
 31 26  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002511-3D
FYIcenter.com

 65 66  0  0  0  0  0  0  0  0999 V2000
    3.6713    3.9972   -3.0274 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9036    2.8498   -2.2097 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3502    3.0771   -0.9453 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5472    4.1753   -0.4514 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5977    1.7661   -0.2723 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9996    0.5533   -1.0195 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7276    0.5107   -2.1523 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1892   -0.7065   -2.8456 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5112   -1.9386   -2.7702 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.2518    2.5805    2.1384 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9371    2.5677    2.7254 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1023    3.7252    2.7270 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3771    5.1440    2.4098 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.5513    7.4421    3.5527 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0806    7.5638    3.1708 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2068    7.3204    1.7013 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.6216    5.5658    1.1349 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$