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

Systemtic Name: [1-(4-methylphenyl)-1-oxidanylidene-propan-2-yl] 5-[[4-(4-methylphenyl)sulfanylphenyl]amino]-5-oxidanylidene-pentanoate Openeye Name: [1-methyl-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 [1-(4-methylphenyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-methylphenyl)-1-oxopropan-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-(p-tolyl)ethyl] ester Formula: C28H29NO4S MolecularWeight: 475.59916

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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=C(C=C3)C

Isomeric SMILES

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

InChI

InChI=1S/C28H29NO4S/c1-19-7-11-22(12-8-19)28(32)21(3)33-27(31)6-4-5-26(30)29-23-13-17-25(18-14-23)34-24-15-9-20(2)10-16-24/h7-18,21H,4-6H2,1-3H3,(H,29,30)