ethyl 5-cyano-6-[2-(4-methylphenyl)-2-oxidanylidene-ethyl]sulfanyl-2-oxidanylidene-1H-pyridine-3-carboxylate

Systemtic Name: ethyl 5-cyano-6-[2-(4-methylphenyl)-2-oxidanylidene-ethyl]sulfanyl-2-oxidanylidene-1H-pyridine-3-carboxylate Openeye Name: ethyl 5-cyano-2-oxo-6-[2-oxo-2-(p-tolyl)ethyl]sulfanyl-1H-pyridine-3-carboxylate CAS Name: 5-cyano-6-[[2-(4-methylphenyl)-2-oxoethyl]thio]-2-oxo-1H-pyridine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-6-[2-(4-methylphenyl)-2-oxoethyl]sulfanyl-2-oxo-1H-pyridine-3-carboxylate Traditional Name: 5-cyano-2-keto-6-[[2-keto-2-(p-tolyl)ethyl]thio]-1H-pyridine-3-carboxylic acid ethyl ester Formula: C18H16N2O4S MolecularWeight: 356.39564

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(NC1=O)SCC(=O)C2=CC=C(C=C2)C)C#N

Isomeric SMILES

CCOC(=O)C1=CC(=C(NC1=O)SCC(=O)C2=CC=C(C=C2)C)C#N

InChI

InChI=1S/C18H16N2O4S/c1-3-24-18(23)14-8-13(9-19)17(20-16(14)22)25-10-15(21)12-6-4-11(2)5-7-12/h4-8H,3,10H2,1-2H3,(H,20,22)