3-[2-[2,4-bis(fluoranyl)phenyl]sulfanylethanoylamino]propanoic acid

Systemtic Name: 3-[2-[2,4-bis(fluoranyl)phenyl]sulfanylethanoylamino]propanoic acid Openeye Name: 3-[[2-(2,4-difluorophenyl)sulfanylacetyl]amino]propanoic acid CAS Name: 3-[[2-[(2,4-difluorophenyl)thio]-1-oxoethyl]amino]propanoic acid IUPAC Name: 3-[[2-(2,4-difluorophenyl)sulfanylacetyl]amino]propanoic acid Traditional Name: 3-[[2-[(2,4-difluorophenyl)thio]acetyl]amino]propionic acid Formula: C11H11F2NO3S MolecularWeight: 275.271746

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1F)F)SCC(=O)NCCC(=O)O

Isomeric SMILES

C1=CC(=C(C=C1F)F)SCC(=O)NCCC(=O)O

InChI

InChI=1S/C11H11F2NO3S/c12-7-1-2-9(8(13)5-7)18-6-10(15)14-4-3-11(16)17/h1-2,5H,3-4,6H2,(H,14,15)(H,16,17)