[2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 2-methylsulfanylpyridine-3-carboxylate

Systemtic Name: [2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 2-methylsulfanylpyridine-3-carboxylate Openeye Name: [2-(2-cyanoethylamino)-2-oxo-ethyl] 2-methylsulfanylpyridine-3-carboxylate CAS Name: 2-(methylthio)-3-pyridinecarboxylic acid [2-(2-cyanoethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoethylamino)-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate Traditional Name: 2-(methylthio)nicotinic acid [2-(2-cyanoethylamino)-2-keto-ethyl] ester Formula: C12H13N3O3S MolecularWeight: 279.31492

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=CC=N1)C(=O)OCC(=O)NCCC#N

Isomeric SMILES

CSC1=C(C=CC=N1)C(=O)OCC(=O)NCCC#N

InChI

InChI=1S/C12H13N3O3S/c1-19-11-9(4-2-6-15-11)12(17)18-8-10(16)14-7-3-5-13/h2,4,6H,3,7-8H2,1H3,(H,14,16)