[2-[(3-cyanothiophen-2-yl)amino]-2-oxidanylidene-ethyl] 2-methylsulfanylpyridine-3-carboxylate

Systemtic Name: [2-[(3-cyanothiophen-2-yl)amino]-2-oxidanylidene-ethyl] 2-methylsulfanylpyridine-3-carboxylate Openeye Name: [2-[(3-cyano-2-thienyl)amino]-2-oxo-ethyl] 2-methylsulfanylpyridine-3-carboxylate CAS Name: 2-(methylthio)-3-pyridinecarboxylic acid [2-[(3-cyano-2-thiophenyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate Traditional Name: 2-(methylthio)nicotinic acid [2-[(3-cyano-2-thienyl)amino]-2-keto-ethyl] ester Formula: C14H11N3O3S2 MolecularWeight: 333.38544

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=CC=N1)C(=O)OCC(=O)NC2=C(C=CS2)C#N

Isomeric SMILES

CSC1=C(C=CC=N1)C(=O)OCC(=O)NC2=C(C=CS2)C#N

InChI

InChI=1S/C14H11N3O3S2/c1-21-13-10(3-2-5-16-13)14(19)20-8-11(18)17-12-9(7-15)4-6-22-12/h2-6H,8H2,1H3,(H,17,18)