4-[3-[3,4-bis(fluoranyl)phenyl]sulfanylpropanoyl-methyl-amino]butanoic acid

Systemtic Name: 4-[3-[3,4-bis(fluoranyl)phenyl]sulfanylpropanoyl-methyl-amino]butanoic acid Openeye Name: 4-[3-(3,4-difluorophenyl)sulfanylpropanoyl-methyl-amino]butanoic acid CAS Name: 4-[[3-[(3,4-difluorophenyl)thio]-1-oxopropyl]-methylamino]butanoic acid IUPAC Name: 4-[3-(3,4-difluorophenyl)sulfanylpropanoyl-methylamino]butanoic acid Traditional Name: 4-[3-[(3,4-difluorophenyl)thio]propanoyl-methyl-amino]butyric acid Formula: C14H17F2NO3S MolecularWeight: 317.351486

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCC(=O)O)C(=O)CCSC1=CC(=C(C=C1)F)F

Isomeric SMILES

CN(CCCC(=O)O)C(=O)CCSC1=CC(=C(C=C1)F)F

InChI

InChI=1S/C14H17F2NO3S/c1-17(7-2-3-14(19)20)13(18)6-8-21-10-4-5-11(15)12(16)9-10/h4-5,9H,2-3,6-8H2,1H3,(H,19,20)