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

Systemtic Name: O1-methyl O3-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl] 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O1-methyl O3-[[2-(3-thienyl)thiazol-4-yl]methyl] 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O1-methyl ester O3-[[2-(3-thiophenyl)-4-thiazolyl]methyl] ester IUPAC Name: 1-O-methyl 3-O-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl] 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O1-methyl ester O3-[[2-(3-thienyl)thiazol-4-yl]methyl] ester Formula: C17H12N2O6S2 MolecularWeight: 404.41698

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H12N2O6S2/c1-24-16(20)11-4-12(6-14(5-11)19(22)23)17(21)25-7-13-9-27-15(18-13)10-2-3-26-8-10/h2-6,8-9H,7H2,1H3