[2-(4-bromophenyl)-2-oxidanylidene-ethyl] 4-[[4-(4-methylphenyl)sulfanylphenyl]amino]-4-oxidanylidene-butanoate

Systemtic Name: [2-(4-bromophenyl)-2-oxidanylidene-ethyl] 4-[[4-(4-methylphenyl)sulfanylphenyl]amino]-4-oxidanylidene-butanoate Openeye Name: [2-(4-bromophenyl)-2-oxo-ethyl] 4-oxo-4-[4-(p-tolylsulfanyl)anilino]butanoate CAS Name: 4-[4-[(4-methylphenyl)thio]anilino]-4-oxobutanoic acid [2-(4-bromophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-bromophenyl)-2-oxoethyl] 4-[4-(4-methylphenyl)sulfanylanilino]-4-oxobutanoate Traditional Name: 4-keto-4-[4-(p-tolylthio)anilino]butyric acid [2-(4-bromophenyl)-2-keto-ethyl] ester Formula: C25H22BrNO4S MolecularWeight: 512.41548

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H22BrNO4S/c1-17-2-10-21(11-3-17)32-22-12-8-20(9-13-22)27-24(29)14-15-25(30)31-16-23(28)18-4-6-19(26)7-5-18/h2-13H,14-16H2,1H3,(H,27,29)