3-[[4-(trifluoromethylsulfanyl)phenyl]methylamino]propanoic acid

Systemtic Name: 3-[[4-(trifluoromethylsulfanyl)phenyl]methylamino]propanoic acid Openeye Name: 3-[[4-(trifluoromethylsulfanyl)phenyl]methylamino]propanoic acid CAS Name: 3-[[4-(trifluoromethylthio)phenyl]methylamino]propanoic acid IUPAC Name: 3-[[4-(trifluoromethylsulfanyl)phenyl]methylamino]propanoic acid Traditional Name: 3-[[4-(trifluoromethylthio)benzyl]amino]propionic acid Formula: C11H12F3NO2S MolecularWeight: 279.27869

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNCCC(=O)O)SC(F)(F)F

Isomeric SMILES

C1=CC(=CC=C1CNCCC(=O)O)SC(F)(F)F

InChI

InChI=1S/C11H12F3NO2S/c12-11(13,14)18-9-3-1-8(2-4-9)7-15-6-5-10(16)17/h1-4,15H,5-7H2,(H,16,17)