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

Systemtic Name: (2S)-2-azaniumyl-3-[(2-bromanyl-4-fluoranyl-phenyl)methylsulfanyl]propanoate Openeye Name: (2S)-2-azaniumyl-3-[(2-bromo-4-fluoro-phenyl)methylsulfanyl]propanoate CAS Name: (2S)-2-ammonio-3-[(2-bromo-4-fluorophenyl)methylthio]propanoate IUPAC Name: (2S)-2-azaniumyl-3-[(2-bromo-4-fluorophenyl)methylsulfanyl]propanoate Traditional Name: (2S)-2-ammonio-3-[(2-bromo-4-fluoro-benzyl)thio]propionate Formula: C10H11BrFNO2S MolecularWeight: 308.167243

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1F)Br)CSCC(C(=O)[O-])[NH3+]

Isomeric SMILES

C1=CC(=C(C=C1F)Br)CSC[C@H](C(=O)[O-])[NH3+]

InChI

InChI=1S/C10H11BrFNO2S/c11-8-3-7(12)2-1-6(8)4-16-5-9(13)10(14)15/h1-3,9H,4-5,13H2,(H,14,15)/t9-/m1/s1