(1-oxidanylidene-1-phenyl-propan-2-yl) 5-[[4-(4-methylphenyl)sulfanylphenyl]amino]-5-oxidanylidene-pentanoate

Systemtic Name: (1-oxidanylidene-1-phenyl-propan-2-yl) 5-[[4-(4-methylphenyl)sulfanylphenyl]amino]-5-oxidanylidene-pentanoate Openeye Name: (1-methyl-2-oxo-2-phenyl-ethyl) 5-oxo-5-[4-(p-tolylsulfanyl)anilino]pentanoate CAS Name: 5-[4-[(4-methylphenyl)thio]anilino]-5-oxopentanoic acid (1-oxo-1-phenylpropan-2-yl) ester IUPAC Name: (1-oxo-1-phenylpropan-2-yl) 5-[4-(4-methylphenyl)sulfanylanilino]-5-oxopentanoate Traditional Name: 5-keto-5-[4-(p-tolylthio)anilino]valeric acid (2-keto-1-methyl-2-phenyl-ethyl) ester Formula: C27H27NO4S MolecularWeight: 461.57258

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=CC=C(C=C2)NC(=O)CCCC(=O)OC(C)C(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)SC2=CC=C(C=C2)NC(=O)CCCC(=O)OC(C)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C27H27NO4S/c1-19-11-15-23(16-12-19)33-24-17-13-22(14-18-24)28-25(29)9-6-10-26(30)32-20(2)27(31)21-7-4-3-5-8-21/h3-5,7-8,11-18,20H,6,9-10H2,1-2H3,(H,28,29)