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

Systemtic Name: (1-oxidanylidene-1-phenyl-pentan-2-yl) 4-[[4-(4-methylphenyl)sulfanylphenyl]amino]-4-oxidanylidene-butanoate Openeye Name: 1-benzoylbutyl 4-oxo-4-[4-(p-tolylsulfanyl)anilino]butanoate CAS Name: 4-[4-[(4-methylphenyl)thio]anilino]-4-oxobutanoic acid (1-oxo-1-phenylpentan-2-yl) ester IUPAC Name: (1-oxo-1-phenylpentan-2-yl) 4-[4-(4-methylphenyl)sulfanylanilino]-4-oxobutanoate Traditional Name: 4-keto-4-[4-(p-tolylthio)anilino]butyric acid 1-benzoylbutyl ester Formula: C28H29NO4S MolecularWeight: 475.59916

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H29NO4S/c1-3-7-25(28(32)21-8-5-4-6-9-21)33-27(31)19-18-26(30)29-22-12-16-24(17-13-22)34-23-14-10-20(2)11-15-23/h4-6,8-17,25H,3,7,18-19H2,1-2H3,(H,29,30)