4-(4-bromophenyl)-2-(ethanoylsulfanylmethyl)-4-oxidanylidene-butanoic acid

Systemtic Name: 4-(4-bromophenyl)-2-(ethanoylsulfanylmethyl)-4-oxidanylidene-butanoic acid Openeye Name: 2-(acetylsulfanylmethyl)-4-(4-bromophenyl)-4-oxo-butanoic acid CAS Name: 2-[(acetylthio)methyl]-4-(4-bromophenyl)-4-oxobutanoic acid IUPAC Name: 2-(acetylsulfanylmethyl)-4-(4-bromophenyl)-4-oxobutanoic acid Traditional Name: 2-[(acetylthio)methyl]-4-(4-bromophenyl)-4-keto-butyric acid Formula: C13H13BrO4S MolecularWeight: 345.20892

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC(CC(=O)C1=CC=C(C=C1)Br)C(=O)O

Isomeric SMILES

CC(=O)SCC(CC(=O)C1=CC=C(C=C1)Br)C(=O)O

InChI

InChI=1S/C13H13BrO4S/c1-8(15)19-7-10(13(17)18)6-12(16)9-2-4-11(14)5-3-9/h2-5,10H,6-7H2,1H3,(H,17,18)