methyl 2-[3-[(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)sulfanyl]propanoylamino]benzoate

Systemtic Name: methyl 2-[3-[(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)sulfanyl]propanoylamino]benzoate Openeye Name: methyl 2-[3-[(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)sulfanyl]propanoylamino]benzoate CAS Name: 2-[[3-[(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)thio]-1-oxopropyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[3-[(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)sulfanyl]propanoylamino]benzoate Traditional Name: 2-[3-[(3-cyano-1-pyrindan-2-yl)thio]propanoylamino]benzoic acid methyl ester Formula: C20H19N3O3S MolecularWeight: 381.44816

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC(=O)CCSC2=NC3=C(CCC3)C=C2C#N

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=O)CCSC2=NC3=C(CCC3)C=C2C#N

InChI

InChI=1S/C20H19N3O3S/c1-26-20(25)15-6-2-3-7-17(15)22-18(24)9-10-27-19-14(12-21)11-13-5-4-8-16(13)23-19/h2-3,6-7,11H,4-5,8-10H2,1H3,(H,22,24)