(1-oxidanylidene-1-phenyl-butan-2-yl) 4-[[4-(4-methylphenyl)sulfanylphenyl]amino]-4-oxidanylidene-butanoate

Systemtic Name: (1-oxidanylidene-1-phenyl-butan-2-yl) 4-[[4-(4-methylphenyl)sulfanylphenyl]amino]-4-oxidanylidene-butanoate Openeye Name: 1-benzoylpropyl 4-oxo-4-[4-(p-tolylsulfanyl)anilino]butanoate CAS Name: 4-[4-[(4-methylphenyl)thio]anilino]-4-oxobutanoic acid (1-oxo-1-phenylbutan-2-yl) ester IUPAC Name: (1-oxo-1-phenylbutan-2-yl) 4-[4-(4-methylphenyl)sulfanylanilino]-4-oxobutanoate Traditional Name: 4-keto-4-[4-(p-tolylthio)anilino]butyric acid 1-benzoylpropyl ester Formula: C27H27NO4S MolecularWeight: 461.57258

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H27NO4S/c1-3-24(27(31)20-7-5-4-6-8-20)32-26(30)18-17-25(29)28-21-11-15-23(16-12-21)33-22-13-9-19(2)10-14-22/h4-16,24H,3,17-18H2,1-2H3,(H,28,29)