2-[[2-azanyl-5-(trifluoromethyl)phenyl]methylsulfanyl]-2-methyl-propanoic acid

Systemtic Name: 2-[[2-azanyl-5-(trifluoromethyl)phenyl]methylsulfanyl]-2-methyl-propanoic acid Openeye Name: 2-[[2-amino-5-(trifluoromethyl)phenyl]methylsulfanyl]-2-methyl-propanoic acid CAS Name: 2-[[2-amino-5-(trifluoromethyl)phenyl]methylthio]-2-methylpropanoic acid IUPAC Name: 2-[[2-amino-5-(trifluoromethyl)phenyl]methylsulfanyl]-2-methylpropanoic acid Traditional Name: 2-[[2-amino-5-(trifluoromethyl)benzyl]thio]-2-methyl-propionic acid Formula: C12H14F3NO2S MolecularWeight: 293.30527

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)O)SCC1=C(C=CC(=C1)C(F)(F)F)N

Isomeric SMILES

CC(C)(C(=O)O)SCC1=C(C=CC(=C1)C(F)(F)F)N

InChI

InChI=1S/C12H14F3NO2S/c1-11(2,10(17)18)19-6-7-5-8(12(13,14)15)3-4-9(7)16/h3-5H,6,16H2,1-2H3,(H,17,18)