2-[(3-bromophenyl)methyl]-3-ethanoylsulfanyl-propanoic acid

Systemtic Name: 2-[(3-bromophenyl)methyl]-3-ethanoylsulfanyl-propanoic acid Openeye Name: 2-(acetylsulfanylmethyl)-3-(3-bromophenyl)propanoic acid CAS Name: 2-[(acetylthio)methyl]-3-(3-bromophenyl)propanoic acid IUPAC Name: 2-(acetylsulfanylmethyl)-3-(3-bromophenyl)propanoic acid Traditional Name: 2-[(acetylthio)methyl]-3-(3-bromophenyl)propionic acid Formula: C12H13BrO3S MolecularWeight: 317.19882

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC(CC1=CC(=CC=C1)Br)C(=O)O

Isomeric SMILES

CC(=O)SCC(CC1=CC(=CC=C1)Br)C(=O)O

InChI

InChI=1S/C12H13BrO3S/c1-8(14)17-7-10(12(15)16)5-9-3-2-4-11(13)6-9/h2-4,6,10H,5,7H2,1H3,(H,15,16)