propyl 2-[[5-cyano-2-oxidanylidene-4-(4-phenylmethoxyphenyl)-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]ethanoate

Systemtic Name: propyl 2-[[5-cyano-2-oxidanylidene-4-(4-phenylmethoxyphenyl)-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]ethanoate Openeye Name: propyl 2-[[4-(4-benzyloxyphenyl)-5-cyano-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]acetate CAS Name: 2-[[5-cyano-2-oxo-4-(4-phenylmethoxyphenyl)-3,4-dihydro-1H-pyridin-6-yl]thio]acetic acid propyl ester IUPAC Name: propyl 2-[[5-cyano-2-oxo-4-(4-phenylmethoxyphenyl)-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]acetate Traditional Name: 2-[[4-(4-benzoxyphenyl)-5-cyano-2-keto-3,4-dihydro-1H-pyridin-6-yl]thio]acetic acid propyl ester Formula: C24H24N2O4S MolecularWeight: 436.52336

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)CSC1=C(C(CC(=O)N1)C2=CC=C(C=C2)OCC3=CC=CC=C3)C#N

Isomeric SMILES

CCCOC(=O)CSC1=C(C(CC(=O)N1)C2=CC=C(C=C2)OCC3=CC=CC=C3)C#N

InChI

InChI=1S/C24H24N2O4S/c1-2-12-29-23(28)16-31-24-21(14-25)20(13-22(27)26-24)18-8-10-19(11-9-18)30-15-17-6-4-3-5-7-17/h3-11,20H,2,12-13,15-16H2,1H3,(H,26,27)