2-[2-[3-(trifluoromethyl)phenyl]sulfanylethylamino]propanoic acid

Systemtic Name: 2-[2-[3-(trifluoromethyl)phenyl]sulfanylethylamino]propanoic acid Openeye Name: 2-[2-[3-(trifluoromethyl)phenyl]sulfanylethylamino]propanoic acid CAS Name: 2-[2-[[3-(trifluoromethyl)phenyl]thio]ethylamino]propanoic acid IUPAC Name: 2-[2-[3-(trifluoromethyl)phenyl]sulfanylethylamino]propanoic acid Traditional Name: 2-[2-[[3-(trifluoromethyl)phenyl]thio]ethylamino]propionic acid Formula: C12H14F3NO2S MolecularWeight: 293.30527

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)NCCSC1=CC=CC(=C1)C(F)(F)F

Isomeric SMILES

CC(C(=O)O)NCCSC1=CC=CC(=C1)C(F)(F)F

InChI

InChI=1S/C12H14F3NO2S/c1-8(11(17)18)16-5-6-19-10-4-2-3-9(7-10)12(13,14)15/h2-4,7-8,16H,5-6H2,1H3,(H,17,18)