2-ethanoylsulfanyl-3-phenylmethoxy-butanoic acid

Systemtic Name: 2-ethanoylsulfanyl-3-phenylmethoxy-butanoic acid Openeye Name: 2-acetylsulfanyl-3-benzyloxy-butanoic acid CAS Name: 2-(acetylthio)-3-phenylmethoxybutanoic acid IUPAC Name: 2-acetylsulfanyl-3-phenylmethoxybutanoic acid Traditional Name: 2-(acetylthio)-3-benzoxy-butyric acid Formula: C13H16O4S MolecularWeight: 268.32874

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)O)SC(=O)C)OCC1=CC=CC=C1

Isomeric SMILES

CC(C(C(=O)O)SC(=O)C)OCC1=CC=CC=C1

InChI

InChI=1S/C13H16O4S/c1-9(12(13(15)16)18-10(2)14)17-8-11-6-4-3-5-7-11/h3-7,9,12H,8H2,1-2H3,(H,15,16)