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

Systemtic Name: ethyl 2-azanyl-5-cyano-6-(2-methoxy-2-oxidanylidene-ethyl)sulfanyl-pyridine-3-carboxylate Openeye Name: ethyl 2-amino-5-cyano-6-(2-methoxy-2-oxo-ethyl)sulfanyl-pyridine-3-carboxylate CAS Name: 2-amino-5-cyano-6-[(2-methoxy-2-oxoethyl)thio]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-amino-5-cyano-6-(2-methoxy-2-oxoethyl)sulfanylpyridine-3-carboxylate Traditional Name: 2-amino-5-cyano-6-[(2-keto-2-methoxy-ethyl)thio]nicotinic acid ethyl ester Formula: C12H13N3O4S MolecularWeight: 295.31432

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13N3O4S/c1-3-19-12(17)8-4-7(5-13)11(15-10(8)14)20-6-9(16)18-2/h4H,3,6H2,1-2H3,(H2,14,15)