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

Systemtic Name: [1-(4-methylphenyl)-1-oxidanylidene-propan-2-yl] 5-oxidanylidene-5-[(4-phenylsulfanylphenyl)amino]pentanoate Openeye Name: [1-methyl-2-oxo-2-(p-tolyl)ethyl] 5-oxo-5-(4-phenylsulfanylanilino)pentanoate CAS Name: 5-oxo-5-[4-(phenylthio)anilino]pentanoic acid [1-(4-methylphenyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-methylphenyl)-1-oxopropan-2-yl] 5-oxo-5-(4-phenylsulfanylanilino)pentanoate Traditional Name: 5-keto-5-[4-(phenylthio)anilino]valeric acid [2-keto-1-methyl-2-(p-tolyl)ethyl] ester Formula: C27H27NO4S MolecularWeight: 461.57258

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C(C)OC(=O)CCCC(=O)NC2=CC=C(C=C2)SC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C(C)OC(=O)CCCC(=O)NC2=CC=C(C=C2)SC3=CC=CC=C3

InChI

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