2-(ethanoylsulfanylmethyl)-3-(3-fluoranylphenoxy)propanoic acid

Systemtic Name: 2-(ethanoylsulfanylmethyl)-3-(3-fluoranylphenoxy)propanoic acid Openeye Name: 2-(acetylsulfanylmethyl)-3-(3-fluorophenoxy)propanoic acid CAS Name: 2-[(acetylthio)methyl]-3-(3-fluorophenoxy)propanoic acid IUPAC Name: 2-(acetylsulfanylmethyl)-3-(3-fluorophenoxy)propanoic acid Traditional Name: 2-[(acetylthio)methyl]-3-(3-fluorophenoxy)propionic acid Formula: C12H13FO4S MolecularWeight: 272.292623

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC(COC1=CC(=CC=C1)F)C(=O)O

Isomeric SMILES

CC(=O)SCC(COC1=CC(=CC=C1)F)C(=O)O

InChI

InChI=1S/C12H13FO4S/c1-8(14)18-7-9(12(15)16)6-17-11-4-2-3-10(13)5-11/h2-5,9H,6-7H2,1H3,(H,15,16)