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

Systemtic Name: 2-[3-[3,4-bis(fluoranyl)phenyl]sulfanylpropanoylamino]propanoic acid Openeye Name: 2-[3-(3,4-difluorophenyl)sulfanylpropanoylamino]propanoic acid CAS Name: 2-[[3-[(3,4-difluorophenyl)thio]-1-oxopropyl]amino]propanoic acid IUPAC Name: 2-[3-(3,4-difluorophenyl)sulfanylpropanoylamino]propanoic acid Traditional Name: 2-[3-[(3,4-difluorophenyl)thio]propanoylamino]propionic acid Formula: C12H13F2NO3S MolecularWeight: 289.298326

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)NC(=O)CCSC1=CC(=C(C=C1)F)F

Isomeric SMILES

CC(C(=O)O)NC(=O)CCSC1=CC(=C(C=C1)F)F

InChI

InChI=1S/C12H13F2NO3S/c1-7(12(17)18)15-11(16)4-5-19-8-2-3-9(13)10(14)6-8/h2-3,6-7H,4-5H2,1H3,(H,15,16)(H,17,18)