methyl (3R)-5-cyano-4-(4-ethoxyphenyl)-2-oxidanylidene-6-(phenylmethylsulfanyl)-3,4-dihydro-1H-pyridine-3-carboxylate

Systemtic Name: methyl (3R)-5-cyano-4-(4-ethoxyphenyl)-2-oxidanylidene-6-(phenylmethylsulfanyl)-3,4-dihydro-1H-pyridine-3-carboxylate Openeye Name: methyl (3R)-6-benzylsulfanyl-5-cyano-4-(4-ethoxyphenyl)-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylate CAS Name: (3R)-5-cyano-4-(4-ethoxyphenyl)-2-oxo-6-(phenylmethylthio)-3,4-dihydro-1H-pyridine-3-carboxylic acid methyl ester IUPAC Name: methyl (3R)-6-benzylsulfanyl-5-cyano-4-(4-ethoxyphenyl)-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylate Traditional Name: (3R)-6-(benzylthio)-5-cyano-2-keto-4-p-phenetyl-3,4-dihydro-1H-pyridine-3-carboxylic acid methyl ester Formula: C23H22N2O4S MolecularWeight: 422.49678

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2C(C(=O)NC(=C2C#N)SCC3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CCOC1=CC=C(C=C1)C2[C@H](C(=O)NC(=C2C#N)SCC3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C23H22N2O4S/c1-3-29-17-11-9-16(10-12-17)19-18(13-24)22(25-21(26)20(19)23(27)28-2)30-14-15-7-5-4-6-8-15/h4-12,19-20H,3,14H2,1-2H3,(H,25,26)/t19?,20-/m1/s1