2-[2-(3,5-dimethoxy-4-oxidanyl-phenyl)-5-methyl-4-oxidanylidene-1,3-thiazolidin-3-yl]-3-(4-nitrophenyl)propanoic acid

Systemtic Name: 2-[2-(3,5-dimethoxy-4-oxidanyl-phenyl)-5-methyl-4-oxidanylidene-1,3-thiazolidin-3-yl]-3-(4-nitrophenyl)propanoic acid Openeye Name: 2-[2-(4-hydroxy-3,5-dimethoxy-phenyl)-5-methyl-4-oxo-thiazolidin-3-yl]-3-(4-nitrophenyl)propanoic acid CAS Name: 2-[2-(4-hydroxy-3,5-dimethoxyphenyl)-5-methyl-4-oxo-3-thiazolidinyl]-3-(4-nitrophenyl)propanoic acid IUPAC Name: 2-[2-(4-hydroxy-3,5-dimethoxyphenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]-3-(4-nitrophenyl)propanoic acid Traditional Name: 2-[2-(4-hydroxy-3,5-dimethoxy-phenyl)-4-keto-5-methyl-thiazolidin-3-yl]-3-(4-nitrophenyl)propionic acid Formula: C21H22N2O8S MolecularWeight: 462.47298

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)N(C(S1)C2=CC(=C(C(=C2)OC)O)OC)C(CC3=CC=C(C=C3)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC1C(=O)N(C(S1)C2=CC(=C(C(=C2)OC)O)OC)C(CC3=CC=C(C=C3)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C21H22N2O8S/c1-11-19(25)22(15(21(26)27)8-12-4-6-14(7-5-12)23(28)29)20(32-11)13-9-16(30-2)18(24)17(10-13)31-3/h4-7,9-11,15,20,24H,8H2,1-3H3,(H,26,27)