2-[[2-azanyl-5-(trifluoromethyl)phenyl]methylsulfanyl]propanoate

Systemtic Name: 2-[[2-azanyl-5-(trifluoromethyl)phenyl]methylsulfanyl]propanoate Openeye Name: 2-[[2-amino-5-(trifluoromethyl)phenyl]methylsulfanyl]propanoate CAS Name: 2-[[2-amino-5-(trifluoromethyl)phenyl]methylthio]propanoate IUPAC Name: 2-[[2-amino-5-(trifluoromethyl)phenyl]methylsulfanyl]propanoate Traditional Name: 2-[[2-amino-5-(trifluoromethyl)benzyl]thio]propionate Formula: C11H11F3NO2S- MolecularWeight: 278.27075

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)[O-])SCC1=C(C=CC(=C1)C(F)(F)F)N

Isomeric SMILES

CC(C(=O)[O-])SCC1=C(C=CC(=C1)C(F)(F)F)N

InChI

InChI=1S/C11H12F3NO2S/c1-6(10(16)17)18-5-7-4-8(11(12,13)14)2-3-9(7)15/h2-4,6H,5,15H2,1H3,(H,16,17)/p-1