[2-(4-bromophenyl)-2-oxidanylidene-ethyl] 2-phenylsulfanylbenzoate

Systemtic Name: [2-(4-bromophenyl)-2-oxidanylidene-ethyl] 2-phenylsulfanylbenzoate Openeye Name: [2-(4-bromophenyl)-2-oxo-ethyl] 2-phenylsulfanylbenzoate CAS Name: 2-(phenylthio)benzoic acid [2-(4-bromophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-bromophenyl)-2-oxoethyl] 2-phenylsulfanylbenzoate Traditional Name: 2-(phenylthio)benzoic acid [2-(4-bromophenyl)-2-keto-ethyl] ester Formula: C21H15BrO3S MolecularWeight: 427.311

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC2=CC=CC=C2C(=O)OCC(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

C1=CC=C(C=C1)SC2=CC=CC=C2C(=O)OCC(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C21H15BrO3S/c22-16-12-10-15(11-13-16)19(23)14-25-21(24)18-8-4-5-9-20(18)26-17-6-2-1-3-7-17/h1-13H,14H2