(2S)-2-azaniumyl-3-[(2-bromophenyl)methylsulfanyl]propanoate

Systemtic Name: (2S)-2-azaniumyl-3-[(2-bromophenyl)methylsulfanyl]propanoate Openeye Name: (2S)-2-azaniumyl-3-[(2-bromophenyl)methylsulfanyl]propanoate CAS Name: (2S)-2-ammonio-3-[(2-bromophenyl)methylthio]propanoate IUPAC Name: (2S)-2-azaniumyl-3-[(2-bromophenyl)methylsulfanyl]propanoate Traditional Name: (2S)-2-ammonio-3-[(2-bromobenzyl)thio]propionate Formula: C10H12BrNO2S MolecularWeight: 290.17678

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H12BrNO2S/c11-8-4-2-1-3-7(8)5-15-6-9(12)10(13)14/h1-4,9H,5-6,12H2,(H,13,14)/t9-/m1/s1