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2-[2-[(3-cyano-6-phenyl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]butanoylamino]benzoic acid

2-[2-[(3-cyano-6-phenyl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]butanoylamino]benzoic acid

Systemtic Name:2-[2-[(3-cyano-6-phenyl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]butanoylamino]benzoic acid
Openeye Name:2-[2-[(3-cyano-6-phenyl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]butanoylamino]benzoic acid
CAS Name:2-[[2-[(3-cyano-6-phenyl-5,6,7,8-tetrahydroquinolin-2-yl)thio]-1-oxobutyl]amino]benzoic acid
IUPAC Name:2-[2-[(3-cyano-6-phenyl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]butanoylamino]benzoic acid
Traditional Name:2-[2-[(3-cyano-6-phenyl-5,6,7,8-tetrahydroquinolin-2-yl)thio]butanoylamino]benzoic acid
Formula: C27H25N3O3S
MolecularWeight: 471.5707
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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=CC=C1C(=O)O)SC2=NC3=C(CC(CC3)C4=CC=CC=C4)C=C2C#N


Isomeric SMILES

CCC(C(=O)NC1=CC=CC=C1C(=O)O)SC2=NC3=C(CC(CC3)C4=CC=CC=C4)C=C2C#N


InChI

InChI=1S/C27H25N3O3S/c1-2-24(25(31)29-23-11-7-6-10-21(23)27(32)33)34-26-20(16-28)15-19-14-18(12-13-22(19)30-26)17-8-4-3-5-9-17/h3-11,15,18,24H,2,12-14H2,1H3,(H,29,31)(H,32,33)


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