methyl 4-bromanyl-2-(phenylsulfanylmethyl)benzoate

Systemtic Name: methyl 4-bromanyl-2-(phenylsulfanylmethyl)benzoate Openeye Name: methyl 4-bromo-2-(phenylsulfanylmethyl)benzoate CAS Name: 4-bromo-2-[(phenylthio)methyl]benzoic acid methyl ester IUPAC Name: methyl 4-bromo-2-(phenylsulfanylmethyl)benzoate Traditional Name: 4-bromo-2-[(phenylthio)methyl]benzoic acid methyl ester Formula: C15H13BrO2S MolecularWeight: 337.23152

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=C(C=C1)Br)CSC2=CC=CC=C2

Isomeric SMILES

COC(=O)C1=C(C=C(C=C1)Br)CSC2=CC=CC=C2

InChI

InChI=1S/C15H13BrO2S/c1-18-15(17)14-8-7-12(16)9-11(14)10-19-13-5-3-2-4-6-13/h2-9H,10H2,1H3