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3-[2-[(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)sulfanyl]butanoylamino]benzoic acid

3-[2-[(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)sulfanyl]butanoylamino]benzoic acid

Systemtic Name:3-[2-[(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)sulfanyl]butanoylamino]benzoic acid
Openeye Name:3-[2-[(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)sulfanyl]butanoylamino]benzoic acid
CAS Name:3-[[2-[(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)thio]-1-oxobutyl]amino]benzoic acid
IUPAC Name:3-[2-[(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)sulfanyl]butanoylamino]benzoic acid
Traditional Name:3-[2-[(3-cyano-1-pyrindan-2-yl)thio]butanoylamino]benzoic acid
Formula: C20H19N3O3S
MolecularWeight: 381.44816
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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=CC(=C1)C(=O)O)SC2=NC3=C(CCC3)C=C2C#N


Isomeric SMILES

CCC(C(=O)NC1=CC=CC(=C1)C(=O)O)SC2=NC3=C(CCC3)C=C2C#N


InChI

InChI=1S/C20H19N3O3S/c1-2-17(18(24)22-15-7-3-6-13(10-15)20(25)26)27-19-14(11-21)9-12-5-4-8-16(12)23-19/h3,6-7,9-10,17H,2,4-5,8H2,1H3,(H,22,24)(H,25,26)


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