[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl] 2-(4,6-diphenylpyrimidin-2-yl)sulfanylethanoate

Systemtic Name: [2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl] 2-(4,6-diphenylpyrimidin-2-yl)sulfanylethanoate Openeye Name: [2-(4-methylanilino)-2-oxo-ethyl] 2-(4,6-diphenylpyrimidin-2-yl)sulfanylacetate CAS Name: 2-[(4,6-diphenyl-2-pyrimidinyl)thio]acetic acid [2-(4-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-methylanilino)-2-oxoethyl] 2-(4,6-diphenylpyrimidin-2-yl)sulfanylacetate Traditional Name: 2-[(4,6-diphenylpyrimidin-2-yl)thio]acetic acid [2-keto-2-(p-toluidino)ethyl] ester Formula: C27H23N3O3S MolecularWeight: 469.55482

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)COC(=O)CSC2=NC(=CC(=N2)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)COC(=O)CSC2=NC(=CC(=N2)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C27H23N3O3S/c1-19-12-14-22(15-13-19)28-25(31)17-33-26(32)18-34-27-29-23(20-8-4-2-5-9-20)16-24(30-27)21-10-6-3-7-11-21/h2-16H,17-18H2,1H3,(H,28,31)