methyl 5-bromanyl-2-methylsulfanyl-benzoate

Systemtic Name: methyl 5-bromanyl-2-methylsulfanyl-benzoate Openeye Name: methyl 5-bromo-2-methylsulfanyl-benzoate CAS Name: 5-bromo-2-(methylthio)benzoic acid methyl ester IUPAC Name: methyl 5-bromo-2-methylsulfanylbenzoate Traditional Name: 5-bromo-2-(methylthio)benzoic acid methyl ester Formula: C9H9BrO2S MolecularWeight: 261.13556

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H9BrO2S/c1-12-9(11)7-5-6(10)3-4-8(7)13-2/h3-5H,1-2H3