methyl 3-[1-(4-bromophenyl)-1-oxidanylidene-propan-2-yl]sulfanylpropanoate

Systemtic Name: methyl 3-[1-(4-bromophenyl)-1-oxidanylidene-propan-2-yl]sulfanylpropanoate Openeye Name: methyl 3-[2-(4-bromophenyl)-1-methyl-2-oxo-ethyl]sulfanylpropanoate CAS Name: 3-[[1-(4-bromophenyl)-1-oxopropan-2-yl]thio]propanoic acid methyl ester IUPAC Name: methyl 3-[1-(4-bromophenyl)-1-oxopropan-2-yl]sulfanylpropanoate Traditional Name: 3-[[2-(4-bromophenyl)-2-keto-1-methyl-ethyl]thio]propionic acid methyl ester Formula: C13H15BrO3S MolecularWeight: 331.2254

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15BrO3S/c1-9(18-8-7-12(15)17-2)13(16)10-3-5-11(14)6-4-10/h3-6,9H,7-8H2,1-2H3