[(1R)-1,2-bis(4-methylphenyl)-2-oxidanylidene-ethyl] 2-methylsulfanylpyridine-3-carboxylate

Systemtic Name: [(1R)-1,2-bis(4-methylphenyl)-2-oxidanylidene-ethyl] 2-methylsulfanylpyridine-3-carboxylate Openeye Name: [(1R)-2-oxo-1,2-bis(p-tolyl)ethyl] 2-methylsulfanylpyridine-3-carboxylate CAS Name: 2-(methylthio)-3-pyridinecarboxylic acid [(1R)-1,2-bis(4-methylphenyl)-2-oxoethyl] ester IUPAC Name: [(1R)-1,2-bis(4-methylphenyl)-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate Traditional Name: 2-(methylthio)nicotinic acid [(1R)-2-keto-1,2-bis(p-tolyl)ethyl] ester Formula: C23H21NO3S MolecularWeight: 391.48274

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C(=O)C2=CC=C(C=C2)C)OC(=O)C3=C(N=CC=C3)SC

Isomeric SMILES

CC1=CC=C(C=C1)[C@H](C(=O)C2=CC=C(C=C2)C)OC(=O)C3=C(N=CC=C3)SC

InChI

InChI=1S/C23H21NO3S/c1-15-6-10-17(11-7-15)20(25)21(18-12-8-16(2)9-13-18)27-23(26)19-5-4-14-24-22(19)28-3/h4-14,21H,1-3H3/t21-/m1/s1