O3-[[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl] O1-ethyl 5-nitrobenzene-1,3-dicarboxylate

Systemtic Name: O3-[[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl] O1-ethyl 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O3-[[2-(3,4-dimethoxyphenyl)thiazol-4-yl]methyl] O1-ethyl 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[[2-(3,4-dimethoxyphenyl)-4-thiazolyl]methyl] ester O1-ethyl ester IUPAC Name: 3-O-[[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl] 1-O-ethyl 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[[2-(3,4-dimethoxyphenyl)thiazol-4-yl]methyl] ester O1-ethyl ester Formula: C22H20N2O8S MolecularWeight: 472.4678

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)C(=O)OCC2=CSC(=N2)C3=CC(=C(C=C3)OC)OC)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)C(=O)OCC2=CSC(=N2)C3=CC(=C(C=C3)OC)OC)[N+](=O)[O-]

InChI

InChI=1S/C22H20N2O8S/c1-4-31-21(25)14-7-15(9-17(8-14)24(27)28)22(26)32-11-16-12-33-20(23-16)13-5-6-18(29-2)19(10-13)30-3/h5-10,12H,4,11H2,1-3H3