[2-oxidanylidene-2-[(2-phenylsulfanylphenyl)amino]ethyl] 4-bromanylbenzoate

Systemtic Name: [2-oxidanylidene-2-[(2-phenylsulfanylphenyl)amino]ethyl] 4-bromanylbenzoate Openeye Name: [2-oxo-2-(2-phenylsulfanylanilino)ethyl] 4-bromobenzoate CAS Name: 4-bromobenzoic acid [2-oxo-2-[2-(phenylthio)anilino]ethyl] ester IUPAC Name: [2-oxo-2-(2-phenylsulfanylanilino)ethyl] 4-bromobenzoate Traditional Name: 4-bromobenzoic acid [2-keto-2-[2-(phenylthio)anilino]ethyl] ester Formula: C21H16BrNO3S MolecularWeight: 442.32564

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H16BrNO3S/c22-16-12-10-15(11-13-16)21(25)26-14-20(24)23-18-8-4-5-9-19(18)27-17-6-2-1-3-7-17/h1-13H,14H2,(H,23,24)