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

Systemtic Name: O3-[[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl] O1-methyl 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O3-[[2-(3,4-dimethoxyphenyl)thiazol-4-yl]methyl] O1-methyl 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[[2-(3,4-dimethoxyphenyl)-4-thiazolyl]methyl] ester O1-methyl ester IUPAC Name: 3-O-[[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl] 1-O-methyl 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[[2-(3,4-dimethoxyphenyl)thiazol-4-yl]methyl] ester O1-methyl ester Formula: C21H18N2O8S MolecularWeight: 458.44122

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NC(=CS2)COC(=O)C3=CC(=CC(=C3)C(=O)OC)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NC(=CS2)COC(=O)C3=CC(=CC(=C3)C(=O)OC)[N+](=O)[O-])OC

InChI

InChI=1S/C21H18N2O8S/c1-28-17-5-4-12(9-18(17)29-2)19-22-15(11-32-19)10-31-21(25)14-6-13(20(24)30-3)7-16(8-14)23(26)27/h4-9,11H,10H2,1-3H3