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

Systemtic Name: ethyl 5-cyano-6-(2-methoxy-2-oxidanylidene-ethyl)sulfanyl-2-oxidanylidene-1H-pyridine-3-carboxylate Openeye Name: ethyl 5-cyano-6-(2-methoxy-2-oxo-ethyl)sulfanyl-2-oxo-1H-pyridine-3-carboxylate CAS Name: 5-cyano-6-[(2-methoxy-2-oxoethyl)thio]-2-oxo-1H-pyridine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-6-(2-methoxy-2-oxoethyl)sulfanyl-2-oxo-1H-pyridine-3-carboxylate Traditional Name: 5-cyano-2-keto-6-[(2-keto-2-methoxy-ethyl)thio]-1H-pyridine-3-carboxylic acid ethyl ester Formula: C12H12N2O5S MolecularWeight: 296.29908

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12N2O5S/c1-3-19-12(17)8-4-7(5-13)11(14-10(8)16)20-6-9(15)18-2/h4H,3,6H2,1-2H3,(H,14,16)