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

Systemtic Name: (2S,4S)-2-(3,5-dimethoxy-4-oxidanyl-phenyl)-1,3-thiazolidin-3-ium-4-carboxylate Openeye Name: (2S,4S)-2-(4-hydroxy-3,5-dimethoxy-phenyl)thiazolidin-3-ium-4-carboxylate CAS Name: (2S,4S)-2-(4-hydroxy-3,5-dimethoxyphenyl)-4-thiazolidin-3-iumcarboxylate IUPAC Name: (2S,4S)-2-(4-hydroxy-3,5-dimethoxyphenyl)-1,3-thiazolidin-3-ium-4-carboxylate Traditional Name: (2S,4S)-2-(4-hydroxy-3,5-dimethoxy-phenyl)thiazolidin-3-ium-4-carboxylate Formula: C12H15NO5S MolecularWeight: 285.3162

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1O)OC)C2[NH2+]C(CS2)C(=O)[O-]

Isomeric SMILES

COC1=CC(=CC(=C1O)OC)[C@H]2[NH2+][C@H](CS2)C(=O)[O-]

InChI

InChI=1S/C12H15NO5S/c1-17-8-3-6(4-9(18-2)10(8)14)11-13-7(5-19-11)12(15)16/h3-4,7,11,13-14H,5H2,1-2H3,(H,15,16)/t7-,11+/m1/s1