(2S)-2-azaniumyl-3-[(5-bromanylthiophen-2-yl)methylsulfanyl]propanoate

Systemtic Name: (2S)-2-azaniumyl-3-[(5-bromanylthiophen-2-yl)methylsulfanyl]propanoate Openeye Name: (2S)-2-azaniumyl-3-[(5-bromo-2-thienyl)methylsulfanyl]propanoate CAS Name: (2S)-2-ammonio-3-[(5-bromo-2-thiophenyl)methylthio]propanoate IUPAC Name: (2S)-2-azaniumyl-3-[(5-bromothiophen-2-yl)methylsulfanyl]propanoate Traditional Name: (2S)-2-ammonio-3-[(5-bromo-2-thienyl)methylthio]propionate Formula: C8H10BrNO2S2 MolecularWeight: 296.2045

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H10BrNO2S2/c9-7-2-1-5(14-7)3-13-4-6(10)8(11)12/h1-2,6H,3-4,10H2,(H,11,12)/t6-/m1/s1