2-azanyl-3-[[3-(trifluoromethyl)phenyl]methylsulfanyl]propanoic acid

Systemtic Name: 2-azanyl-3-[[3-(trifluoromethyl)phenyl]methylsulfanyl]propanoic acid Openeye Name: 2-amino-3-[[3-(trifluoromethyl)phenyl]methylsulfanyl]propanoic acid CAS Name: 2-amino-3-[[3-(trifluoromethyl)phenyl]methylthio]propanoic acid IUPAC Name: 2-amino-3-[[3-(trifluoromethyl)phenyl]methylsulfanyl]propanoic acid Traditional Name: 2-amino-3-[[3-(trifluoromethyl)benzyl]thio]propionic acid Formula: C11H12F3NO2S MolecularWeight: 279.27869

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C(F)(F)F)CSCC(C(=O)O)N

Isomeric SMILES

C1=CC(=CC(=C1)C(F)(F)F)CSCC(C(=O)O)N

InChI

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