3-sulfanyl-2-[[4-(trifluoromethyl)phenyl]methylamino]propanoic acid hydrochloride

Systemtic Name: 3-sulfanyl-2-[[4-(trifluoromethyl)phenyl]methylamino]propanoic acid hydrochloride Openeye Name: 3-sulfanyl-2-[[4-(trifluoromethyl)phenyl]methylamino]propanoic acid hydrochloride CAS Name: 3-mercapto-2-[[4-(trifluoromethyl)phenyl]methylamino]propanoic acid hydrochloride IUPAC Name: 3-sulfanyl-2-[[4-(trifluoromethyl)phenyl]methylamino]propanoic acid hydrochloride Traditional Name: 3-mercapto-2-[[4-(trifluoromethyl)benzyl]amino]propionic acid hydrochloride Formula: C11H13ClF3NO2S MolecularWeight: 315.73963

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNC(CS)C(=O)O)C(F)(F)F.Cl

Isomeric SMILES

C1=CC(=CC=C1CNC(CS)C(=O)O)C(F)(F)F.Cl

InChI

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