2-azanyl-3-[[4-(trifluoromethyl)phenyl]methylsulfanyl]propanoic acid

Systemtic Name: 2-azanyl-3-[[4-(trifluoromethyl)phenyl]methylsulfanyl]propanoic acid Openeye Name: 2-amino-3-[[4-(trifluoromethyl)phenyl]methylsulfanyl]propanoic acid CAS Name: 2-amino-3-[[4-(trifluoromethyl)phenyl]methylthio]propanoic acid IUPAC Name: 2-amino-3-[[4-(trifluoromethyl)phenyl]methylsulfanyl]propanoic acid Traditional Name: 2-amino-3-[[4-(trifluoromethyl)benzyl]thio]propionic acid Formula: C11H12F3NO2S MolecularWeight: 279.27869

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CSCC(C(=O)O)N)C(F)(F)F

Isomeric SMILES

C1=CC(=CC=C1CSCC(C(=O)O)N)C(F)(F)F

InChI

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