Molecule Editor

Molecule ID: FYI-1007102 Edit

Molecule Structure InChIKey: YMSJOTGIXPFJEE-LJQANCHMSA-N

Molecule Structure SMILES String: O=C(NCCS)[C@H]2CC1(CC1)CN2C(=O)c4cccc(Oc3ccccc3)c4

Download SDF Download SVG Structure in 2D SDF:

FYI-1007102
FYIcenter.com

 28 31  0  0  1  0  0  0  0  0999 V2000
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    8.0617    1.4253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6311    0.1463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.9228    3.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4902    5.3147    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1587    5.7473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.5363    7.5493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000   12.5228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.6169    9.4230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.1184    4.8105    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6228    6.1376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7554    5.3147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6922    6.3551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1249    5.0236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3228    3.9833    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  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  2  1  6  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 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  2  0  0  0  0
 16 15  1  0  0  0  0
 17 16  2  0  0  0  0
 18 17  1  0  0  0  0
 19 18  2  0  0  0  0
 19 14  1  0  0  0  0
 20 12  2  0  0  0  0
 21 20  1  0  0  0  0
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 22 10  1  0  0  0  0
 23  9  2  0  0  0  0
 24  8  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
 27 25  1  0  0  0  0
 28 25  1  0  0  0  0
 28  7  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007102-3D
FYIcenter.com

 52 55  0  0  1  0  0  0  0  0999 V2000
    1.6723    0.2092   -1.4292 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9538    0.0241   -0.2451 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8423   -1.2255    0.3215 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1920   -2.3271   -0.3659 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0943   -3.0557   -1.3671 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4933   -3.8937   -0.5530 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.6735    1.0902    0.6282 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.7308    2.4188   -0.1681 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7212    3.5021    0.8758 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9880    4.8001    0.6443 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4884    4.7888    0.6614 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6390    2.8713    2.2241 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2056    1.5101    1.9710 N   0  0  0  0  0  0  0  0  0  0  0  0
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    1.6174   -0.5614    2.7996 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4267    2.3401    6.3275 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2544    2.0279    7.0083 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2357    1.3084    6.3728 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9583    0.9719    6.9816 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$