2-(ethanoylsulfanylmethyl)-3-phenoxy-butanoic acid

Systemtic Name: 2-(ethanoylsulfanylmethyl)-3-phenoxy-butanoic acid Openeye Name: 2-(acetylsulfanylmethyl)-3-phenoxy-butanoic acid CAS Name: 2-[(acetylthio)methyl]-3-phenoxybutanoic acid IUPAC Name: 2-(acetylsulfanylmethyl)-3-phenoxybutanoic acid Traditional Name: 2-[(acetylthio)methyl]-3-phenoxy-butyric acid Formula: C13H16O4S MolecularWeight: 268.32874

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(CSC(=O)C)C(=O)O)OC1=CC=CC=C1

Isomeric SMILES

CC(C(CSC(=O)C)C(=O)O)OC1=CC=CC=C1

InChI

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