(2R)-2-azaniumyl-3-(2,1,3-benzothiadiazol-5-yl)propanoate

Systemtic Name: (2R)-2-azaniumyl-3-(2,1,3-benzothiadiazol-5-yl)propanoate Openeye Name: (2R)-2-azaniumyl-3-(2,1,3-benzothiadiazol-5-yl)propanoate CAS Name: (2R)-2-ammonio-3-(2,1,3-benzothiadiazol-5-yl)propanoate IUPAC Name: (2R)-2-azaniumyl-3-(2,1,3-benzothiadiazol-5-yl)propanoate Traditional Name: (2R)-2-ammonio-3-piazthiol-5-yl-propionate Formula: C9H9N3O2S MolecularWeight: 223.25166

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=NSN=C2C=C1CC(C(=O)[O-])[NH3+]

Isomeric SMILES

C1=CC2=NSN=C2C=C1C[C@H](C(=O)[O-])[NH3+]

InChI

InChI=1S/C9H9N3O2S/c10-6(9(13)14)3-5-1-2-7-8(4-5)12-15-11-7/h1-2,4,6H,3,10H2,(H,13,14)/t6-/m1/s1