[2-(3-bromophenyl)-2-oxidanylidene-ethyl] 2-chloranyl-5-methylsulfanyl-benzoate

Systemtic Name: [2-(3-bromophenyl)-2-oxidanylidene-ethyl] 2-chloranyl-5-methylsulfanyl-benzoate Openeye Name: [2-(3-bromophenyl)-2-oxo-ethyl] 2-chloro-5-methylsulfanyl-benzoate CAS Name: 2-chloro-5-(methylthio)benzoic acid [2-(3-bromophenyl)-2-oxoethyl] ester IUPAC Name: [2-(3-bromophenyl)-2-oxoethyl] 2-chloro-5-methylsulfanylbenzoate Traditional Name: 2-chloro-5-(methylthio)benzoic acid [2-(3-bromophenyl)-2-keto-ethyl] ester Formula: C16H12BrClO3S MolecularWeight: 399.68668

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC(=C(C=C1)Cl)C(=O)OCC(=O)C2=CC(=CC=C2)Br

Isomeric SMILES

CSC1=CC(=C(C=C1)Cl)C(=O)OCC(=O)C2=CC(=CC=C2)Br

InChI

InChI=1S/C16H12BrClO3S/c1-22-12-5-6-14(18)13(8-12)16(20)21-9-15(19)10-3-2-4-11(17)7-10/h2-8H,9H2,1H3