[2-(4-bromophenyl)-2-oxidanylidene-ethyl] 5-oxidanylidene-5-[(4-phenylsulfanylphenyl)amino]pentanoate

Systemtic Name: [2-(4-bromophenyl)-2-oxidanylidene-ethyl] 5-oxidanylidene-5-[(4-phenylsulfanylphenyl)amino]pentanoate Openeye Name: [2-(4-bromophenyl)-2-oxo-ethyl] 5-oxo-5-(4-phenylsulfanylanilino)pentanoate CAS Name: 5-oxo-5-[4-(phenylthio)anilino]pentanoic acid [2-(4-bromophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-bromophenyl)-2-oxoethyl] 5-oxo-5-(4-phenylsulfanylanilino)pentanoate Traditional Name: 5-keto-5-[4-(phenylthio)anilino]valeric acid [2-(4-bromophenyl)-2-keto-ethyl] ester Formula: C25H22BrNO4S MolecularWeight: 512.41548

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H22BrNO4S/c26-19-11-9-18(10-12-19)23(28)17-31-25(30)8-4-7-24(29)27-20-13-15-22(16-14-20)32-21-5-2-1-3-6-21/h1-3,5-6,9-16H,4,7-8,17H2,(H,27,29)