[2-oxidanylidene-2-[(2-propan-2-ylphenyl)amino]ethyl] 2-methylsulfanylpyridine-3-carboxylate

Systemtic Name: [2-oxidanylidene-2-[(2-propan-2-ylphenyl)amino]ethyl] 2-methylsulfanylpyridine-3-carboxylate Openeye Name: [2-(2-isopropylanilino)-2-oxo-ethyl] 2-methylsulfanylpyridine-3-carboxylate CAS Name: 2-(methylthio)-3-pyridinecarboxylic acid [2-oxo-2-(2-propan-2-ylanilino)ethyl] ester IUPAC Name: [2-oxo-2-(2-propan-2-ylanilino)ethyl] 2-methylsulfanylpyridine-3-carboxylate Traditional Name: 2-(methylthio)nicotinic acid [2-(2-isopropylanilino)-2-keto-ethyl] ester Formula: C18H20N2O3S MolecularWeight: 344.428

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1NC(=O)COC(=O)C2=C(N=CC=C2)SC

Isomeric SMILES

CC(C)C1=CC=CC=C1NC(=O)COC(=O)C2=C(N=CC=C2)SC

InChI

InChI=1S/C18H20N2O3S/c1-12(2)13-7-4-5-9-15(13)20-16(21)11-23-18(22)14-8-6-10-19-17(14)24-3/h4-10,12H,11H2,1-3H3,(H,20,21)