methyl 5-cyano-4-(4-methoxyphenyl)-2-oxidanylidene-6-phenethylsulfanyl-3,4-dihydro-1H-pyridine-3-carboxylate

Systemtic Name: methyl 5-cyano-4-(4-methoxyphenyl)-2-oxidanylidene-6-phenethylsulfanyl-3,4-dihydro-1H-pyridine-3-carboxylate Openeye Name: methyl 5-cyano-4-(4-methoxyphenyl)-2-oxo-6-phenethylsulfanyl-3,4-dihydro-1H-pyridine-3-carboxylate CAS Name: 5-cyano-4-(4-methoxyphenyl)-2-oxo-6-(phenethylthio)-3,4-dihydro-1H-pyridine-3-carboxylic acid methyl ester IUPAC Name: methyl 5-cyano-4-(4-methoxyphenyl)-2-oxo-6-phenethylsulfanyl-3,4-dihydro-1H-pyridine-3-carboxylate Traditional Name: 5-cyano-2-keto-4-(4-methoxyphenyl)-6-(phenethylthio)-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:

COC1=CC=C(C=C1)C2C(C(=O)NC(=C2C#N)SCCC3=CC=CC=C3)C(=O)OC

Isomeric SMILES

COC1=CC=C(C=C1)C2C(C(=O)NC(=C2C#N)SCCC3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C23H22N2O4S/c1-28-17-10-8-16(9-11-17)19-18(14-24)22(25-21(26)20(19)23(27)29-2)30-13-12-15-6-4-3-5-7-15/h3-11,19-20H,12-13H2,1-2H3,(H,25,26)