2-[2-[2-(3,5-dimethoxy-4-oxidanyl-phenyl)-4-oxidanylidene-1,3-thiazolidin-3-yl]ethyl]-2-oxidanyl-propanedioic acid

Systemtic Name: 2-[2-[2-(3,5-dimethoxy-4-oxidanyl-phenyl)-4-oxidanylidene-1,3-thiazolidin-3-yl]ethyl]-2-oxidanyl-propanedioic acid Openeye Name: 2-hydroxy-2-[2-[2-(4-hydroxy-3,5-dimethoxy-phenyl)-4-oxo-thiazolidin-3-yl]ethyl]propanedioic acid CAS Name: 2-hydroxy-2-[2-[2-(4-hydroxy-3,5-dimethoxyphenyl)-4-oxo-3-thiazolidinyl]ethyl]propanedioic acid IUPAC Name: 2-hydroxy-2-[2-[2-(4-hydroxy-3,5-dimethoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]propanedioic acid Traditional Name: 2-hydroxy-2-[2-[2-(4-hydroxy-3,5-dimethoxy-phenyl)-4-keto-thiazolidin-3-yl]ethyl]malonic acid Formula: C16H19NO9S MolecularWeight: 401.38836

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1O)OC)C2N(C(=O)CS2)CCC(C(=O)O)(C(=O)O)O

Isomeric SMILES

COC1=CC(=CC(=C1O)OC)C2N(C(=O)CS2)CCC(C(=O)O)(C(=O)O)O

InChI

InChI=1S/C16H19NO9S/c1-25-9-5-8(6-10(26-2)12(9)19)13-17(11(18)7-27-13)4-3-16(24,14(20)21)15(22)23/h5-6,13,19,24H,3-4,7H2,1-2H3,(H,20,21)(H,22,23)