[2-[2-(4-chlorophenyl)ethylamino]-2-oxidanylidene-ethyl] 2-methylsulfanylpyridine-3-carboxylate

Systemtic Name: [2-[2-(4-chlorophenyl)ethylamino]-2-oxidanylidene-ethyl] 2-methylsulfanylpyridine-3-carboxylate Openeye Name: [2-[2-(4-chlorophenyl)ethylamino]-2-oxo-ethyl] 2-methylsulfanylpyridine-3-carboxylate CAS Name: 2-(methylthio)-3-pyridinecarboxylic acid [2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate Traditional Name: 2-(methylthio)nicotinic acid [2-[2-(4-chlorophenyl)ethylamino]-2-keto-ethyl] ester Formula: C17H17ClN2O3S MolecularWeight: 364.84648

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=CC=N1)C(=O)OCC(=O)NCCC2=CC=C(C=C2)Cl

Isomeric SMILES

CSC1=C(C=CC=N1)C(=O)OCC(=O)NCCC2=CC=C(C=C2)Cl

InChI

InChI=1S/C17H17ClN2O3S/c1-24-16-14(3-2-9-20-16)17(22)23-11-15(21)19-10-8-12-4-6-13(18)7-5-12/h2-7,9H,8,10-11H2,1H3,(H,19,21)