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

Systemtic Name: methyl 5-cyano-6-(3-ethoxy-3-oxidanylidene-propanoyl)sulfanyl-4-(4-ethoxyphenyl)-2-oxidanylidene-3,4-dihydro-1H-pyridine-3-carboxylate Openeye Name: methyl 5-cyano-6-(3-ethoxy-3-oxo-propanoyl)sulfanyl-4-(4-ethoxyphenyl)-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylate CAS Name: 5-cyano-6-[(3-ethoxy-1,3-dioxopropyl)thio]-4-(4-ethoxyphenyl)-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-ethoxyphenyl)-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylate Traditional Name: 5-cyano-6-[(3-ethoxy-3-keto-propanoyl)thio]-2-keto-4-p-phenetyl-3,4-dihydro-1H-pyridine-3-carboxylic acid methyl ester Formula: C21H22N2O7S MolecularWeight: 446.47358

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2C(C(=O)NC(=C2C#N)SC(=O)CC(=O)OCC)C(=O)OC

Isomeric SMILES

CCOC1=CC=C(C=C1)C2C(C(=O)NC(=C2C#N)SC(=O)CC(=O)OCC)C(=O)OC

InChI

InChI=1S/C21H22N2O7S/c1-4-29-13-8-6-12(7-9-13)17-14(11-22)20(23-19(26)18(17)21(27)28-3)31-16(25)10-15(24)30-5-2/h6-9,17-18H,4-5,10H2,1-3H3,(H,23,26)