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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1SCCC(=O)NCCC(=O)O)F)F

Isomeric SMILES

C1=CC(=C(C=C1SCCC(=O)NCCC(=O)O)F)F

InChI

InChI=1S/C12H13F2NO3S/c13-9-2-1-8(7-10(9)14)19-6-4-11(16)15-5-3-12(17)18/h1-2,7H,3-6H2,(H,15,16)(H,17,18)