methyl 4-bromanyl-2-(methylsulfanylmethyl)benzoate

Systemtic Name: methyl 4-bromanyl-2-(methylsulfanylmethyl)benzoate Openeye Name: methyl 4-bromo-2-(methylsulfanylmethyl)benzoate CAS Name: 4-bromo-2-[(methylthio)methyl]benzoic acid methyl ester IUPAC Name: methyl 4-bromo-2-(methylsulfanylmethyl)benzoate Traditional Name: 4-bromo-2-[(methylthio)methyl]benzoic acid methyl ester Formula: C10H11BrO2S MolecularWeight: 275.16214

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=C(C=C1)Br)CSC

Isomeric SMILES

COC(=O)C1=C(C=C(C=C1)Br)CSC

InChI

InChI=1S/C10H11BrO2S/c1-13-10(12)9-4-3-8(11)5-7(9)6-14-2/h3-5H,6H2,1-2H3