methyl 6-[(4-chlorophenyl)methylsulfanyl]-5-cyano-4-(4-ethoxyphenyl)-2-oxidanylidene-3,4-dihydro-1H-pyridine-3-carboxylate

Systemtic Name: methyl 6-[(4-chlorophenyl)methylsulfanyl]-5-cyano-4-(4-ethoxyphenyl)-2-oxidanylidene-3,4-dihydro-1H-pyridine-3-carboxylate Openeye Name: methyl 6-[(4-chlorophenyl)methylsulfanyl]-5-cyano-4-(4-ethoxyphenyl)-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylate CAS Name: 6-[(4-chlorophenyl)methylthio]-5-cyano-4-(4-ethoxyphenyl)-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylic acid methyl ester IUPAC Name: methyl 6-[(4-chlorophenyl)methylsulfanyl]-5-cyano-4-(4-ethoxyphenyl)-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylate Traditional Name: 6-[(4-chlorobenzyl)thio]-5-cyano-2-keto-4-p-phenetyl-3,4-dihydro-1H-pyridine-3-carboxylic acid methyl ester Formula: C23H21ClN2O4S MolecularWeight: 456.94184

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H21ClN2O4S/c1-3-30-17-10-6-15(7-11-17)19-18(12-25)22(26-21(27)20(19)23(28)29-2)31-13-14-4-8-16(24)9-5-14/h4-11,19-20H,3,13H2,1-2H3,(H,26,27)