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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C2=NC(=CS2)COC(=O)C3=CC(=CC(=C3)C(=O)OC)[N+](=O)[O-])OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C2=NC(=CS2)COC(=O)C3=CC(=CC(=C3)C(=O)OC)[N+](=O)[O-])OC

InChI

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