ethyl 5-cyano-2-(2-ethoxy-2-oxidanylidene-ethyl)-6-methylsulfanyl-pyridine-3-carboxylate

Systemtic Name: ethyl 5-cyano-2-(2-ethoxy-2-oxidanylidene-ethyl)-6-methylsulfanyl-pyridine-3-carboxylate Openeye Name: ethyl 5-cyano-2-(2-ethoxy-2-oxo-ethyl)-6-methylsulfanyl-pyridine-3-carboxylate CAS Name: 5-cyano-2-(2-ethoxy-2-oxoethyl)-6-(methylthio)-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-2-(2-ethoxy-2-oxoethyl)-6-methylsulfanylpyridine-3-carboxylate Traditional Name: 5-cyano-2-(2-ethoxy-2-keto-ethyl)-6-(methylthio)nicotinic acid ethyl ester Formula: C14H16N2O4S MolecularWeight: 308.35284

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=C(C=C(C(=N1)SC)C#N)C(=O)OCC

Isomeric SMILES

CCOC(=O)CC1=C(C=C(C(=N1)SC)C#N)C(=O)OCC

InChI

InChI=1S/C14H16N2O4S/c1-4-19-12(17)7-11-10(14(18)20-5-2)6-9(8-15)13(16-11)21-3/h6H,4-5,7H2,1-3H3