methyl 5-cyano-6-[4-ethoxy-2,4-bis(oxidanylidene)butyl]sulfanyl-4-(4-methylphenyl)-2-oxidanylidene-3,4-dihydro-1H-pyridine-3-carboxylate

Systemtic Name: methyl 5-cyano-6-[4-ethoxy-2,4-bis(oxidanylidene)butyl]sulfanyl-4-(4-methylphenyl)-2-oxidanylidene-3,4-dihydro-1H-pyridine-3-carboxylate Openeye Name: methyl 5-cyano-6-(4-ethoxy-2,4-dioxo-butyl)sulfanyl-2-oxo-4-(p-tolyl)-3,4-dihydro-1H-pyridine-3-carboxylate CAS Name: 5-cyano-6-[(4-ethoxy-2,4-dioxobutyl)thio]-4-(4-methylphenyl)-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylic acid methyl ester IUPAC Name: methyl 5-cyano-6-(4-ethoxy-2,4-dioxobutyl)sulfanyl-4-(4-methylphenyl)-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylate Traditional Name: 5-cyano-6-[(4-ethoxy-2,4-diketo-butyl)thio]-2-keto-4-(p-tolyl)-3,4-dihydro-1H-pyridine-3-carboxylic acid methyl ester Formula: C21H22N2O6S MolecularWeight: 430.47418

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(=O)CSC1=C(C(C(C(=O)N1)C(=O)OC)C2=CC=C(C=C2)C)C#N

Isomeric SMILES

CCOC(=O)CC(=O)CSC1=C(C(C(C(=O)N1)C(=O)OC)C2=CC=C(C=C2)C)C#N

InChI

InChI=1S/C21H22N2O6S/c1-4-29-16(25)9-14(24)11-30-20-15(10-22)17(13-7-5-12(2)6-8-13)18(19(26)23-20)21(27)28-3/h5-8,17-18H,4,9,11H2,1-3H3,(H,23,26)