(2S,4R)-2-(2-bromanyl-4,5-dimethoxy-phenyl)-1,3-thiazolidin-3-ium-4-carboxylate

Systemtic Name: (2S,4R)-2-(2-bromanyl-4,5-dimethoxy-phenyl)-1,3-thiazolidin-3-ium-4-carboxylate Openeye Name: (2S,4R)-2-(2-bromo-4,5-dimethoxy-phenyl)thiazolidin-3-ium-4-carboxylate CAS Name: (2S,4R)-2-(2-bromo-4,5-dimethoxyphenyl)-4-thiazolidin-3-iumcarboxylate IUPAC Name: (2S,4R)-2-(2-bromo-4,5-dimethoxyphenyl)-1,3-thiazolidin-3-ium-4-carboxylate Traditional Name: (2S,4R)-2-(2-bromo-4,5-dimethoxy-phenyl)thiazolidin-3-ium-4-carboxylate Formula: C12H14BrNO4S MolecularWeight: 348.21286

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C2[NH2+]C(CS2)C(=O)[O-])Br)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)[C@H]2[NH2+][C@@H](CS2)C(=O)[O-])Br)OC

InChI

InChI=1S/C12H14BrNO4S/c1-17-9-3-6(7(13)4-10(9)18-2)11-14-8(5-19-11)12(15)16/h3-4,8,11,14H,5H2,1-2H3,(H,15,16)/t8-,11-/m0/s1