methyl 2-(2-bromoethylsulfanyl)-3-propan-2-yl-benzoate

Systemtic Name: methyl 2-(2-bromoethylsulfanyl)-3-propan-2-yl-benzoate Openeye Name: methyl 2-(2-bromoethylsulfanyl)-3-isopropyl-benzoate CAS Name: 2-(2-bromoethylthio)-3-propan-2-ylbenzoic acid methyl ester IUPAC Name: methyl 2-(2-bromoethylsulfanyl)-3-propan-2-ylbenzoate Traditional Name: 2-(2-bromoethylthio)-3-isopropyl-benzoic acid methyl ester Formula: C13H17BrO2S MolecularWeight: 317.24188

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC(=C1SCCBr)C(=O)OC

Isomeric SMILES

CC(C)C1=CC=CC(=C1SCCBr)C(=O)OC

InChI

InChI=1S/C13H17BrO2S/c1-9(2)10-5-4-6-11(13(15)16-3)12(10)17-8-7-14/h4-6,9H,7-8H2,1-3H3