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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15F2NO3S/c1-8(6-13(18)19)16-12(17)4-5-20-9-2-3-10(14)11(15)7-9/h2-3,7-8H,4-6H2,1H3,(H,16,17)(H,18,19)