ethyl 5-cyano-2-oxidanylidene-6-(phenylmethylsulfanyl)-1H-pyridine-3-carboxylate

Systemtic Name: ethyl 5-cyano-2-oxidanylidene-6-(phenylmethylsulfanyl)-1H-pyridine-3-carboxylate Openeye Name: ethyl 6-benzylsulfanyl-5-cyano-2-oxo-1H-pyridine-3-carboxylate CAS Name: 5-cyano-2-oxo-6-(phenylmethylthio)-1H-pyridine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-benzylsulfanyl-5-cyano-2-oxo-1H-pyridine-3-carboxylate Traditional Name: 6-(benzylthio)-5-cyano-2-keto-1H-pyridine-3-carboxylic acid ethyl ester Formula: C16H14N2O3S MolecularWeight: 314.35896

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(NC1=O)SCC2=CC=CC=C2)C#N

Isomeric SMILES

CCOC(=O)C1=CC(=C(NC1=O)SCC2=CC=CC=C2)C#N

InChI

InChI=1S/C16H14N2O3S/c1-2-21-16(20)13-8-12(9-17)15(18-14(13)19)22-10-11-6-4-3-5-7-11/h3-8H,2,10H2,1H3,(H,18,19)