[4-(2-bromanylpropanoyl)-2-methylsulfanyl-phenyl] ethanoate

Systemtic Name: [4-(2-bromanylpropanoyl)-2-methylsulfanyl-phenyl] ethanoate Openeye Name: [4-(2-bromopropanoyl)-2-methylsulfanyl-phenyl] acetate CAS Name: acetic acid [4-(2-bromo-1-oxopropyl)-2-(methylthio)phenyl] ester IUPAC Name: [4-(2-bromopropanoyl)-2-methylsulfanylphenyl] acetate Traditional Name: acetic acid [4-(2-bromopropanoyl)-2-(methylthio)phenyl] ester Formula: C12H13BrO3S MolecularWeight: 317.19882

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13BrO3S/c1-7(13)12(15)9-4-5-10(16-8(2)14)11(6-9)17-3/h4-7H,1-3H3