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

Systemtic Name: propan-2-yl 4-[(3-cyano-4-phenyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)sulfanyl]-3-oxidanylidene-butanoate Openeye Name: isopropyl 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 propan-2-yl ester IUPAC Name: propan-2-yl 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 isopropyl ester Formula: C22H22N2O3S MolecularWeight: 394.48668

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N2O3S/c1-14(2)27-20(26)11-16(25)13-28-22-18(12-23)21(15-7-4-3-5-8-15)17-9-6-10-19(17)24-22/h3-5,7-8,14H,6,9-11,13H2,1-2H3