methyl 5-(2-bromanylethanoyl)-2-methylsulfanyl-benzoate

Systemtic Name: methyl 5-(2-bromanylethanoyl)-2-methylsulfanyl-benzoate Openeye Name: methyl 5-(2-bromoacetyl)-2-methylsulfanyl-benzoate CAS Name: 5-(2-bromo-1-oxoethyl)-2-(methylthio)benzoic acid methyl ester IUPAC Name: methyl 5-(2-bromoacetyl)-2-methylsulfanylbenzoate Traditional Name: 5-(2-bromoacetyl)-2-(methylthio)benzoic acid methyl ester Formula: C11H11BrO3S MolecularWeight: 303.17224

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC(=C1)C(=O)CBr)SC

Isomeric SMILES

COC(=O)C1=C(C=CC(=C1)C(=O)CBr)SC

InChI

InChI=1S/C11H11BrO3S/c1-15-11(14)8-5-7(9(13)6-12)3-4-10(8)16-2/h3-5H,6H2,1-2H3