[2-oxidanylidene-2-[(2-phenylsulfanylphenyl)amino]ethyl] 2-(4-bromanylphenoxy)ethanoate

Systemtic Name: [2-oxidanylidene-2-[(2-phenylsulfanylphenyl)amino]ethyl] 2-(4-bromanylphenoxy)ethanoate Openeye Name: [2-oxo-2-(2-phenylsulfanylanilino)ethyl] 2-(4-bromophenoxy)acetate CAS Name: 2-(4-bromophenoxy)acetic acid [2-oxo-2-[2-(phenylthio)anilino]ethyl] ester IUPAC Name: [2-oxo-2-(2-phenylsulfanylanilino)ethyl] 2-(4-bromophenoxy)acetate Traditional Name: 2-(4-bromophenoxy)acetic acid [2-keto-2-[2-(phenylthio)anilino]ethyl] ester Formula: C22H18BrNO4S MolecularWeight: 472.35162

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC2=CC=CC=C2NC(=O)COC(=O)COC3=CC=C(C=C3)Br

Isomeric SMILES

C1=CC=C(C=C1)SC2=CC=CC=C2NC(=O)COC(=O)COC3=CC=C(C=C3)Br

InChI

InChI=1S/C22H18BrNO4S/c23-16-10-12-17(13-11-16)27-15-22(26)28-14-21(25)24-19-8-4-5-9-20(19)29-18-6-2-1-3-7-18/h1-13H,14-15H2,(H,24,25)