[2-oxidanylidene-2-[(2,4,6-trimethylphenyl)amino]ethyl] 2-phenylsulfanylpyridine-3-carboxylate

Systemtic Name: [2-oxidanylidene-2-[(2,4,6-trimethylphenyl)amino]ethyl] 2-phenylsulfanylpyridine-3-carboxylate Openeye Name: [2-oxo-2-(2,4,6-trimethylanilino)ethyl] 2-phenylsulfanylpyridine-3-carboxylate CAS Name: 2-(phenylthio)-3-pyridinecarboxylic acid [2-oxo-2-(2,4,6-trimethylanilino)ethyl] ester IUPAC Name: [2-oxo-2-(2,4,6-trimethylanilino)ethyl] 2-phenylsulfanylpyridine-3-carboxylate Traditional Name: 2-(phenylthio)nicotinic acid (2-keto-2-mesidino-ethyl) ester Formula: C23H22N2O3S MolecularWeight: 406.49738

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)NC(=O)COC(=O)C2=C(N=CC=C2)SC3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)NC(=O)COC(=O)C2=C(N=CC=C2)SC3=CC=CC=C3)C

InChI

InChI=1S/C23H22N2O3S/c1-15-12-16(2)21(17(3)13-15)25-20(26)14-28-23(27)19-10-7-11-24-22(19)29-18-8-5-4-6-9-18/h4-13H,14H2,1-3H3,(H,25,26)