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

Systemtic Name: [2-(4-methylphenyl)-2-oxidanylidene-ethyl] 5-oxidanylidene-5-[(4-phenylsulfanylphenyl)amino]pentanoate Openeye Name: [2-oxo-2-(p-tolyl)ethyl] 5-oxo-5-(4-phenylsulfanylanilino)pentanoate CAS Name: 5-oxo-5-[4-(phenylthio)anilino]pentanoic acid [2-(4-methylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methylphenyl)-2-oxoethyl] 5-oxo-5-(4-phenylsulfanylanilino)pentanoate Traditional Name: 5-keto-5-[4-(phenylthio)anilino]valeric 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)CCCC(=O)NC2=CC=C(C=C2)SC3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C26H25NO4S/c1-19-10-12-20(13-11-19)24(28)18-31-26(30)9-5-8-25(29)27-21-14-16-23(17-15-21)32-22-6-3-2-4-7-22/h2-4,6-7,10-17H,5,8-9,18H2,1H3,(H,27,29)