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

Systemtic Name: (1-oxidanylidene-1-phenyl-pentan-2-yl) 5-[[4-(4-methylphenyl)sulfanylphenyl]amino]-5-oxidanylidene-pentanoate Openeye Name: 1-benzoylbutyl 5-oxo-5-[4-(p-tolylsulfanyl)anilino]pentanoate CAS Name: 5-[4-[(4-methylphenyl)thio]anilino]-5-oxopentanoic acid (1-oxo-1-phenylpentan-2-yl) ester IUPAC Name: (1-oxo-1-phenylpentan-2-yl) 5-[4-(4-methylphenyl)sulfanylanilino]-5-oxopentanoate Traditional Name: 5-keto-5-[4-(p-tolylthio)anilino]valeric acid 1-benzoylbutyl ester Formula: C29H31NO4S MolecularWeight: 489.62574

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H31NO4S/c1-3-8-26(29(33)22-9-5-4-6-10-22)34-28(32)12-7-11-27(31)30-23-15-19-25(20-16-23)35-24-17-13-21(2)14-18-24/h4-6,9-10,13-20,26H,3,7-8,11-12H2,1-2H3,(H,30,31)