[1-(4-methylphenyl)-1-oxidanylidene-propan-2-yl] 4-[[4-(4-methylphenyl)sulfanylphenyl]amino]-4-oxidanylidene-butanoate

Systemtic Name: [1-(4-methylphenyl)-1-oxidanylidene-propan-2-yl] 4-[[4-(4-methylphenyl)sulfanylphenyl]amino]-4-oxidanylidene-butanoate Openeye Name: [1-methyl-2-oxo-2-(p-tolyl)ethyl] 4-oxo-4-[4-(p-tolylsulfanyl)anilino]butanoate CAS Name: 4-[4-[(4-methylphenyl)thio]anilino]-4-oxobutanoic acid [1-(4-methylphenyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-methylphenyl)-1-oxopropan-2-yl] 4-[4-(4-methylphenyl)sulfanylanilino]-4-oxobutanoate Traditional Name: 4-keto-4-[4-(p-tolylthio)anilino]butyric 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)CCC(=O)NC2=CC=C(C=C2)SC3=CC=C(C=C3)C

Isomeric SMILES

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

InChI

InChI=1S/C27H27NO4S/c1-18-4-8-21(9-5-18)27(31)20(3)32-26(30)17-16-25(29)28-22-10-14-24(15-11-22)33-23-12-6-19(2)7-13-23/h4-15,20H,16-17H2,1-3H3,(H,28,29)