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

Systemtic Name: methyl 5-cyano-6-(3-ethoxy-3-oxidanylidene-propanoyl)sulfanyl-4-(4-methylphenyl)-2-oxidanylidene-3,4-dihydro-1H-pyridine-3-carboxylate Openeye Name: methyl 5-cyano-6-(3-ethoxy-3-oxo-propanoyl)sulfanyl-2-oxo-4-(p-tolyl)-3,4-dihydro-1H-pyridine-3-carboxylate CAS Name: 5-cyano-6-[(3-ethoxy-1,3-dioxopropyl)thio]-4-(4-methylphenyl)-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylic acid methyl ester IUPAC Name: methyl 5-cyano-6-(3-ethoxy-3-oxopropanoyl)sulfanyl-4-(4-methylphenyl)-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylate Traditional Name: 5-cyano-6-[(3-ethoxy-3-keto-propanoyl)thio]-2-keto-4-(p-tolyl)-3,4-dihydro-1H-pyridine-3-carboxylic acid methyl ester Formula: C20H20N2O6S MolecularWeight: 416.4476

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(=O)SC1=C(C(C(C(=O)N1)C(=O)OC)C2=CC=C(C=C2)C)C#N

Isomeric SMILES

CCOC(=O)CC(=O)SC1=C(C(C(C(=O)N1)C(=O)OC)C2=CC=C(C=C2)C)C#N

InChI

InChI=1S/C20H20N2O6S/c1-4-28-14(23)9-15(24)29-19-13(10-21)16(12-7-5-11(2)6-8-12)17(18(25)22-19)20(26)27-3/h5-8,16-17H,4,9H2,1-3H3,(H,22,25)