3-[3,4-bis(fluoranyl)phenyl]-2-(ethanoylsulfanylmethyl)butanoic acid

Systemtic Name: 3-[3,4-bis(fluoranyl)phenyl]-2-(ethanoylsulfanylmethyl)butanoic acid Openeye Name: 2-(acetylsulfanylmethyl)-3-(3,4-difluorophenyl)butanoic acid CAS Name: 2-[(acetylthio)methyl]-3-(3,4-difluorophenyl)butanoic acid IUPAC Name: 2-(acetylsulfanylmethyl)-3-(3,4-difluorophenyl)butanoic acid Traditional Name: 2-[(acetylthio)methyl]-3-(3,4-difluorophenyl)butyric acid Formula: C13H14F2O3S MolecularWeight: 288.310266

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14F2O3S/c1-7(9-3-4-11(14)12(15)5-9)10(13(17)18)6-19-8(2)16/h3-5,7,10H,6H2,1-2H3,(H,17,18)