[2-[2-cyanoethyl(furan-2-ylmethyl)amino]-2-oxidanylidene-ethyl] 2-methylsulfanylpyridine-3-carboxylate

Systemtic Name: [2-[2-cyanoethyl(furan-2-ylmethyl)amino]-2-oxidanylidene-ethyl] 2-methylsulfanylpyridine-3-carboxylate Openeye Name: [2-[2-cyanoethyl(2-furylmethyl)amino]-2-oxo-ethyl] 2-methylsulfanylpyridine-3-carboxylate CAS Name: 2-(methylthio)-3-pyridinecarboxylic acid [2-[2-cyanoethyl(2-furanylmethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[2-cyanoethyl(furan-2-ylmethyl)amino]-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate Traditional Name: 2-(methylthio)nicotinic acid [2-[2-cyanoethyl(2-furfuryl)amino]-2-keto-ethyl] ester Formula: C17H17N3O4S MolecularWeight: 359.39958

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=CC=N1)C(=O)OCC(=O)N(CCC#N)CC2=CC=CO2

Isomeric SMILES

CSC1=C(C=CC=N1)C(=O)OCC(=O)N(CCC#N)CC2=CC=CO2

InChI

InChI=1S/C17H17N3O4S/c1-25-16-14(6-2-8-19-16)17(22)24-12-15(21)20(9-4-7-18)11-13-5-3-10-23-13/h2-3,5-6,8,10H,4,9,11-12H2,1H3