methyl 4-[2-bromanyl-2-(4-methylsulfanylphenyl)ethanoyl]benzoate

Systemtic Name: methyl 4-[2-bromanyl-2-(4-methylsulfanylphenyl)ethanoyl]benzoate Openeye Name: methyl 4-[2-bromo-2-(4-methylsulfanylphenyl)acetyl]benzoate CAS Name: 4-[2-bromo-2-[4-(methylthio)phenyl]-1-oxoethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[2-bromo-2-(4-methylsulfanylphenyl)acetyl]benzoate Traditional Name: 4-[2-bromo-2-[4-(methylthio)phenyl]acetyl]benzoic acid methyl ester Formula: C17H15BrO3S MolecularWeight: 379.2682

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15BrO3S/c1-21-17(20)13-5-3-12(4-6-13)16(19)15(18)11-7-9-14(22-2)10-8-11/h3-10,15H,1-2H3