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

Systemtic Name: 2-[3-[3,4-bis(fluoranyl)phenyl]sulfanylpropanoylamino]butanoic acid Openeye Name: 2-[3-(3,4-difluorophenyl)sulfanylpropanoylamino]butanoic acid CAS Name: 2-[[3-[(3,4-difluorophenyl)thio]-1-oxopropyl]amino]butanoic acid IUPAC Name: 2-[3-(3,4-difluorophenyl)sulfanylpropanoylamino]butanoic acid Traditional Name: 2-[3-[(3,4-difluorophenyl)thio]propanoylamino]butyric acid Formula: C13H15F2NO3S MolecularWeight: 303.324906

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15F2NO3S/c1-2-11(13(18)19)16-12(17)5-6-20-8-3-4-9(14)10(15)7-8/h3-4,7,11H,2,5-6H2,1H3,(H,16,17)(H,18,19)