[2-(4-methylsulfanylphenyl)-2-oxidanylidene-ethyl] 3-bromanylbenzoate

Systemtic Name: [2-(4-methylsulfanylphenyl)-2-oxidanylidene-ethyl] 3-bromanylbenzoate Openeye Name: [2-(4-methylsulfanylphenyl)-2-oxo-ethyl] 3-bromobenzoate CAS Name: 3-bromobenzoic acid [2-[4-(methylthio)phenyl]-2-oxoethyl] ester IUPAC Name: [2-(4-methylsulfanylphenyl)-2-oxoethyl] 3-bromobenzoate Traditional Name: 3-bromobenzoic acid [2-keto-2-[4-(methylthio)phenyl]ethyl] ester Formula: C16H13BrO3S MolecularWeight: 365.24162

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C(=O)COC(=O)C2=CC(=CC=C2)Br

Isomeric SMILES

CSC1=CC=C(C=C1)C(=O)COC(=O)C2=CC(=CC=C2)Br

InChI

InChI=1S/C16H13BrO3S/c1-21-14-7-5-11(6-8-14)15(18)10-20-16(19)12-3-2-4-13(17)9-12/h2-9H,10H2,1H3