(3,3-dimethyl-2-oxidanylidene-butyl) 4-[[4-(4-methylphenyl)sulfanylphenyl]amino]-4-oxidanylidene-butanoate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 4-[[4-(4-methylphenyl)sulfanylphenyl]amino]-4-oxidanylidene-butanoate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 4-oxo-4-[4-(p-tolylsulfanyl)anilino]butanoate CAS Name: 4-[4-[(4-methylphenyl)thio]anilino]-4-oxobutanoic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 4-[4-(4-methylphenyl)sulfanylanilino]-4-oxobutanoate Traditional Name: 4-keto-4-[4-(p-tolylthio)anilino]butyric acid (2-keto-3,3-dimethyl-butyl) ester Formula: C23H27NO4S MolecularWeight: 413.52978

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27NO4S/c1-16-5-9-18(10-6-16)29-19-11-7-17(8-12-19)24-21(26)13-14-22(27)28-15-20(25)23(2,3)4/h5-12H,13-15H2,1-4H3,(H,24,26)