ethyl 4-[(3-cyano-4-phenyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)sulfanyl]-3-oxidanylidene-butanoate

Systemtic Name: ethyl 4-[(3-cyano-4-phenyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)sulfanyl]-3-oxidanylidene-butanoate Openeye Name: ethyl 4-[(3-cyano-4-phenyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)sulfanyl]-3-oxo-butanoate CAS Name: 4-[(3-cyano-4-phenyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)thio]-3-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-[(3-cyano-4-phenyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)sulfanyl]-3-oxobutanoate Traditional Name: 4-[(3-cyano-4-phenyl-1-pyrindan-2-yl)thio]-3-keto-butyric acid ethyl ester Formula: C21H20N2O3S MolecularWeight: 380.4601

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(=O)CSC1=NC2=C(CCC2)C(=C1C#N)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)CC(=O)CSC1=NC2=C(CCC2)C(=C1C#N)C3=CC=CC=C3

InChI

InChI=1S/C21H20N2O3S/c1-2-26-19(25)11-15(24)13-27-21-17(12-22)20(14-7-4-3-5-8-14)16-9-6-10-18(16)23-21/h3-5,7-8H,2,6,9-11,13H2,1H3