4-[2-[3,4-bis(fluoranyl)phenyl]sulfanylethanoyl-methyl-amino]butanoic acid

Systemtic Name: 4-[2-[3,4-bis(fluoranyl)phenyl]sulfanylethanoyl-methyl-amino]butanoic acid Openeye Name: 4-[[2-(3,4-difluorophenyl)sulfanylacetyl]-methyl-amino]butanoic acid CAS Name: 4-[[2-[(3,4-difluorophenyl)thio]-1-oxoethyl]-methylamino]butanoic acid IUPAC Name: 4-[[2-(3,4-difluorophenyl)sulfanylacetyl]-methylamino]butanoic acid Traditional Name: 4-[[2-[(3,4-difluorophenyl)thio]acetyl]-methyl-amino]butyric acid Formula: C13H15F2NO3S MolecularWeight: 303.324906

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CCCC(=O)O)C(=O)CSC1=CC(=C(C=C1)F)F

Isomeric SMILES

CN(CCCC(=O)O)C(=O)CSC1=CC(=C(C=C1)F)F

InChI

InChI=1S/C13H15F2NO3S/c1-16(6-2-3-13(18)19)12(17)8-20-9-4-5-10(14)11(15)7-9/h4-5,7H,2-3,6,8H2,1H3,(H,18,19)