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

Systemtic Name: (1-oxidanylidene-1-phenyl-propan-2-yl) 4-[[4-(4-methylphenyl)sulfanylphenyl]amino]-4-oxidanylidene-butanoate Openeye Name: (1-methyl-2-oxo-2-phenyl-ethyl) 4-oxo-4-[4-(p-tolylsulfanyl)anilino]butanoate CAS Name: 4-[4-[(4-methylphenyl)thio]anilino]-4-oxobutanoic acid (1-oxo-1-phenylpropan-2-yl) ester IUPAC Name: (1-oxo-1-phenylpropan-2-yl) 4-[4-(4-methylphenyl)sulfanylanilino]-4-oxobutanoate Traditional Name: 4-keto-4-[4-(p-tolylthio)anilino]butyric acid (2-keto-1-methyl-2-phenyl-ethyl) ester Formula: C26H25NO4S MolecularWeight: 447.546

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=CC=C(C=C2)NC(=O)CCC(=O)OC(C)C(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)SC2=CC=C(C=C2)NC(=O)CCC(=O)OC(C)C(=O)C3=CC=CC=C3

InChI

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