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

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

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

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C12H14F3NO2S/c13-12(14,15)9-2-1-3-10(8-9)19-7-6-16-5-4-11(17)18/h1-3,8,16H,4-7H2,(H,17,18)


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