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4-[2-[(3-cyano-6-methyl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]butanoylamino]benzoic acid

4-[2-[(3-cyano-6-methyl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]butanoylamino]benzoic acid

Systemtic Name:4-[2-[(3-cyano-6-methyl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]butanoylamino]benzoic acid
Openeye Name:4-[2-[(3-cyano-6-methyl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]butanoylamino]benzoic acid
CAS Name:4-[[2-[(3-cyano-6-methyl-5,6,7,8-tetrahydroquinolin-2-yl)thio]-1-oxobutyl]amino]benzoic acid
IUPAC Name:4-[2-[(3-cyano-6-methyl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]butanoylamino]benzoic acid
Traditional Name:4-[2-[(3-cyano-6-methyl-5,6,7,8-tetrahydroquinolin-2-yl)thio]butanoylamino]benzoic acid
Formula: C22H23N3O3S
MolecularWeight: 409.50132
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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=C(C=C1)C(=O)O)SC2=NC3=C(CC(CC3)C)C=C2C#N


Isomeric SMILES

CCC(C(=O)NC1=CC=C(C=C1)C(=O)O)SC2=NC3=C(CC(CC3)C)C=C2C#N


InChI

InChI=1S/C22H23N3O3S/c1-3-19(20(26)24-17-7-5-14(6-8-17)22(27)28)29-21-16(12-23)11-15-10-13(2)4-9-18(15)25-21/h5-8,11,13,19H,3-4,9-10H2,1-2H3,(H,24,26)(H,27,28)


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