2-[[3,4-bis(fluoranyl)phenyl]methyl]-3-ethanoylsulfanyl-propanoic acid

Systemtic Name: 2-[[3,4-bis(fluoranyl)phenyl]methyl]-3-ethanoylsulfanyl-propanoic acid Openeye Name: 2-(acetylsulfanylmethyl)-3-(3,4-difluorophenyl)propanoic acid CAS Name: 2-[(acetylthio)methyl]-3-(3,4-difluorophenyl)propanoic acid IUPAC Name: 2-(acetylsulfanylmethyl)-3-(3,4-difluorophenyl)propanoic acid Traditional Name: 2-[(acetylthio)methyl]-3-(3,4-difluorophenyl)propionic acid Formula: C12H12F2O3S MolecularWeight: 274.283686

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC(CC1=CC(=C(C=C1)F)F)C(=O)O

Isomeric SMILES

CC(=O)SCC(CC1=CC(=C(C=C1)F)F)C(=O)O

InChI

InChI=1S/C12H12F2O3S/c1-7(15)18-6-9(12(16)17)4-8-2-3-10(13)11(14)5-8/h2-3,5,9H,4,6H2,1H3,(H,16,17)