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

Systemtic Name: 4-[3-[3,4-bis(fluoranyl)phenyl]sulfanylpropanoylamino]butanoic acid Openeye Name: 4-[3-(3,4-difluorophenyl)sulfanylpropanoylamino]butanoic acid CAS Name: 4-[[3-[(3,4-difluorophenyl)thio]-1-oxopropyl]amino]butanoic acid IUPAC Name: 4-[3-(3,4-difluorophenyl)sulfanylpropanoylamino]butanoic acid Traditional Name: 4-[3-[(3,4-difluorophenyl)thio]propanoylamino]butyric acid Formula: C13H15F2NO3S MolecularWeight: 303.324906

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15F2NO3S/c14-10-4-3-9(8-11(10)15)20-7-5-12(17)16-6-1-2-13(18)19/h3-4,8H,1-2,5-7H2,(H,16,17)(H,18,19)