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

Systemtic Name: [2-(4-methylphenyl)-2-oxidanylidene-ethyl] 4-[[4-(4-methylphenyl)sulfanylphenyl]amino]-4-oxidanylidene-butanoate Openeye Name: [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 [2-(4-methylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methylphenyl)-2-oxoethyl] 4-[4-(4-methylphenyl)sulfanylanilino]-4-oxobutanoate Traditional Name: 4-keto-4-[4-(p-tolylthio)anilino]butyric acid [2-keto-2-(p-tolyl)ethyl] ester Formula: C26H25NO4S MolecularWeight: 447.546

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H25NO4S/c1-18-3-7-20(8-4-18)24(28)17-31-26(30)16-15-25(29)27-21-9-13-23(14-10-21)32-22-11-5-19(2)6-12-22/h3-14H,15-17H2,1-2H3,(H,27,29)