methyl 5-cyano-2-(methoxymethyl)-6-(2-methoxy-2-oxidanylidene-ethyl)sulfanyl-pyridine-3-carboxylate

Systemtic Name: methyl 5-cyano-2-(methoxymethyl)-6-(2-methoxy-2-oxidanylidene-ethyl)sulfanyl-pyridine-3-carboxylate Openeye Name: methyl 5-cyano-2-(methoxymethyl)-6-(2-methoxy-2-oxo-ethyl)sulfanyl-pyridine-3-carboxylate CAS Name: 5-cyano-2-(methoxymethyl)-6-[(2-methoxy-2-oxoethyl)thio]-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 5-cyano-2-(methoxymethyl)-6-(2-methoxy-2-oxoethyl)sulfanylpyridine-3-carboxylate Traditional Name: 5-cyano-6-[(2-keto-2-methoxy-ethyl)thio]-2-(methoxymethyl)nicotinic acid methyl ester Formula: C13H14N2O5S MolecularWeight: 310.32566

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Descriptors Computed from Structure

Canonical SMILES:

COCC1=C(C=C(C(=N1)SCC(=O)OC)C#N)C(=O)OC

Isomeric SMILES

COCC1=C(C=C(C(=N1)SCC(=O)OC)C#N)C(=O)OC

InChI

InChI=1S/C13H14N2O5S/c1-18-6-10-9(13(17)20-3)4-8(5-14)12(15-10)21-7-11(16)19-2/h4H,6-7H2,1-3H3