2-[[3,5-bis(fluoranyl)phenyl]methyl]-3-ethanoylsulfanyl-propanoic acid

Systemtic Name: 2-[[3,5-bis(fluoranyl)phenyl]methyl]-3-ethanoylsulfanyl-propanoic acid Openeye Name: 2-(acetylsulfanylmethyl)-3-(3,5-difluorophenyl)propanoic acid CAS Name: 2-[(acetylthio)methyl]-3-(3,5-difluorophenyl)propanoic acid IUPAC Name: 2-(acetylsulfanylmethyl)-3-(3,5-difluorophenyl)propanoic acid Traditional Name: 2-[(acetylthio)methyl]-3-(3,5-difluorophenyl)propionic acid Formula: C12H12F2O3S MolecularWeight: 274.283686

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12F2O3S/c1-7(15)18-6-9(12(16)17)2-8-3-10(13)5-11(14)4-8/h3-5,9H,2,6H2,1H3,(H,16,17)