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

Systemtic Name: methyl (3R)-5-cyano-4-(4-ethylphenyl)-2-oxidanylidene-6-(phenylmethylsulfanyl)-3,4-dihydro-1H-pyridine-3-carboxylate Openeye Name: methyl (3R)-6-benzylsulfanyl-5-cyano-4-(4-ethylphenyl)-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylate CAS Name: (3R)-5-cyano-4-(4-ethylphenyl)-2-oxo-6-(phenylmethylthio)-3,4-dihydro-1H-pyridine-3-carboxylic acid methyl ester IUPAC Name: methyl (3R)-6-benzylsulfanyl-5-cyano-4-(4-ethylphenyl)-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylate Traditional Name: (3R)-6-(benzylthio)-5-cyano-4-(4-ethylphenyl)-2-keto-3,4-dihydro-1H-pyridine-3-carboxylic acid methyl ester Formula: C23H22N2O3S MolecularWeight: 406.49738

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2C(C(=O)NC(=C2C#N)SCC3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CCC1=CC=C(C=C1)C2[C@H](C(=O)NC(=C2C#N)SCC3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C23H22N2O3S/c1-3-15-9-11-17(12-10-15)19-18(13-24)22(25-21(26)20(19)23(27)28-2)29-14-16-7-5-4-6-8-16/h4-12,19-20H,3,14H2,1-2H3,(H,25,26)/t19?,20-/m1/s1