2-(5-bromanyl-2,3-dihydro-1H-inden-1-yl)-3-ethanoylsulfanyl-propanoic acid

Systemtic Name: 2-(5-bromanyl-2,3-dihydro-1H-inden-1-yl)-3-ethanoylsulfanyl-propanoic acid Openeye Name: 3-acetylsulfanyl-2-(5-bromoindan-1-yl)propanoic acid CAS Name: 3-(acetylthio)-2-(5-bromo-2,3-dihydro-1H-inden-1-yl)propanoic acid IUPAC Name: 3-acetylsulfanyl-2-(5-bromo-2,3-dihydro-1H-inden-1-yl)propanoic acid Traditional Name: 3-(acetylthio)-2-(5-bromoindan-1-yl)propionic acid Formula: C14H15BrO3S MolecularWeight: 343.2361

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC(C1CCC2=C1C=CC(=C2)Br)C(=O)O

Isomeric SMILES

CC(=O)SCC(C1CCC2=C1C=CC(=C2)Br)C(=O)O

InChI

InChI=1S/C14H15BrO3S/c1-8(16)19-7-13(14(17)18)12-4-2-9-6-10(15)3-5-11(9)12/h3,5-6,12-13H,2,4,7H2,1H3,(H,17,18)