(2S)-2-azaniumyl-3-[[4-(trifluoromethyloxy)phenyl]methylsulfanyl]propanoate

Systemtic Name: (2S)-2-azaniumyl-3-[[4-(trifluoromethyloxy)phenyl]methylsulfanyl]propanoate Openeye Name: (2S)-2-azaniumyl-3-[[4-(trifluoromethoxy)phenyl]methylsulfanyl]propanoate CAS Name: (2S)-2-ammonio-3-[[4-(trifluoromethoxy)phenyl]methylthio]propanoate IUPAC Name: (2S)-2-azaniumyl-3-[[4-(trifluoromethoxy)phenyl]methylsulfanyl]propanoate Traditional Name: (2S)-2-ammonio-3-[[4-(trifluoromethoxy)benzyl]thio]propionate Formula: C11H12F3NO3S MolecularWeight: 295.27809

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CSCC(C(=O)[O-])[NH3+])OC(F)(F)F

Isomeric SMILES

C1=CC(=CC=C1CSC[C@H](C(=O)[O-])[NH3+])OC(F)(F)F

InChI

InChI=1S/C11H12F3NO3S/c12-11(13,14)18-8-3-1-7(2-4-8)5-19-6-9(15)10(16)17/h1-4,9H,5-6,15H2,(H,16,17)/t9-/m1/s1