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

Systemtic Name: O3-[[2-[(4-methoxyphenyl)amino]-1,3-thiazol-4-yl]methyl] O1-methyl 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O3-[[2-(4-methoxyanilino)thiazol-4-yl]methyl] O1-methyl 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[[2-(4-methoxyanilino)-4-thiazolyl]methyl] ester O1-methyl ester IUPAC Name: 3-O-[[2-(4-methoxyanilino)-1,3-thiazol-4-yl]methyl] 1-O-methyl 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O1-methyl ester O3-[[2-(p-anisidino)thiazol-4-yl]methyl] ester Formula: C20H17N3O7S MolecularWeight: 443.42988

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC2=NC(=CS2)COC(=O)C3=CC(=CC(=C3)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)NC2=NC(=CS2)COC(=O)C3=CC(=CC(=C3)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C20H17N3O7S/c1-28-17-5-3-14(4-6-17)21-20-22-15(11-31-20)10-30-19(25)13-7-12(18(24)29-2)8-16(9-13)23(26)27/h3-9,11H,10H2,1-2H3,(H,21,22)