Molecule FYI-1001786

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Molecule Summary:

ID: FYI-1001786
SMILES: C1(SCC(=O)NC2=CC=CC=C2)SC2C(=CC=C(C=2)NC(=O)C2=CC=C(C(OC)=C2)OC)N=1

Received at FYIcenter.com on: 2022-12-07

Molecule ID: FYI-1001786 Edit

Molecule Structure SMILES String: C1(SCC(=O)NC2=CC=CC=C2)SC2C(=CC=C(C=2)NC(=O)C2=CC=C(C(OC)=C2)OC)N=1

Download SDF Download SVG Structure in 2D SDF:

FYI-1001786
FYIcenter.com

 33 36  0  0  0  0  0  0  0  0999 V2000
    8.4871    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.1000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.7029    3.2710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.2029    2.0586    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   19.1029    3.2710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4029    4.4834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   17.0029    4.4834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5029    3.2710    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.2029    4.4834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6335    4.1923    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
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 10  9  2  0  0  0  0
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 31 26  1  0  0  0  0
 32 31  1  0  0  0  0
 33 15  1  0  0  0  0
 33  1  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001786-3D
FYIcenter.com

 54 57  0  0  0  0  0  0  0  0999 V2000
   -2.0307   -0.7144   -0.0365 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6744   -1.3148   -0.0247 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4402   -2.9359    0.7701 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1102   -2.7597    2.2446 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0117   -2.6647    3.0747 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7503   -2.6875    2.5054 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1488   -2.4733    3.7632 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8272   -2.6327    4.9731 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1933   -2.3522    6.1858 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1277   -1.9139    6.2006 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8238   -1.7788    5.0026 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1917   -2.0692    3.7878 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6379    0.9509   -0.0760 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0433    0.5561   -0.0468 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1658   -0.8335   -0.0263 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4481   -1.3994   -0.0183 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.1738    1.4028   -0.0464 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5798    1.6848   -0.0437 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9114    1.2963    0.0199 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3275    0.1560    0.1927 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9348    2.3721   -0.1127 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3750    5.5428   -1.7960 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.3745    1.2650    1.0611 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.7870    3.6908   -1.3930 H   0  0  0  0  0  0  0  0  0  0  0  0
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  4  5  2  0  0  0  0
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 23 24  2  0  0  0  0
 23 30  1  0  0  0  0
 24 25  1  0  0  0  0
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 25 26  2  0  0  0  0
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 26 31  1  0  0  0  0
 27 28  1  0  0  0  0
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 29 48  1  0  0  0  0
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 31 32  1  0  0  0  0
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 32 54  1  0  0  0  0
M  END
$$$$

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2022-12-28, 1681👍, 0💬