[2-(4-methylphenyl)-2-oxidanylidene-ethyl] 5-[[4-(4-methylphenyl)sulfanylphenyl]amino]-5-oxidanylidene-pentanoate

Systemtic Name: [2-(4-methylphenyl)-2-oxidanylidene-ethyl] 5-[[4-(4-methylphenyl)sulfanylphenyl]amino]-5-oxidanylidene-pentanoate Openeye Name: [2-oxo-2-(p-tolyl)ethyl] 5-oxo-5-[4-(p-tolylsulfanyl)anilino]pentanoate CAS Name: 5-[4-[(4-methylphenyl)thio]anilino]-5-oxopentanoic acid [2-(4-methylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methylphenyl)-2-oxoethyl] 5-[4-(4-methylphenyl)sulfanylanilino]-5-oxopentanoate Traditional Name: 5-keto-5-[4-(p-tolylthio)anilino]valeric acid [2-keto-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)COC(=O)CCCC(=O)NC2=CC=C(C=C2)SC3=CC=C(C=C3)C

Isomeric SMILES

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

InChI

InChI=1S/C27H27NO4S/c1-19-6-10-21(11-7-19)25(29)18-32-27(31)5-3-4-26(30)28-22-12-16-24(17-13-22)33-23-14-8-20(2)9-15-23/h6-17H,3-5,18H2,1-2H3,(H,28,30)