diethyl 2-[(5-nitro-1,3-thiazol-2-yl)sulfanyl]-1H-imidazole-4,5-dicarboxylate

Systemtic Name: diethyl 2-[(5-nitro-1,3-thiazol-2-yl)sulfanyl]-1H-imidazole-4,5-dicarboxylate Openeye Name: diethyl 2-(5-nitrothiazol-2-yl)sulfanyl-1H-imidazole-4,5-dicarboxylate CAS Name: 2-[(5-nitro-2-thiazolyl)thio]-1H-imidazole-4,5-dicarboxylic acid diethyl ester IUPAC Name: diethyl 2-[(5-nitro-1,3-thiazol-2-yl)sulfanyl]-1H-imidazole-4,5-dicarboxylate Traditional Name: 2-[(5-nitrothiazol-2-yl)thio]-1H-imidazole-4,5-dicarboxylic acid diethyl ester Formula: C12H12N4O6S2 MolecularWeight: 372.37688

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(N1)SC2=NC=C(S2)[N+](=O)[O-])C(=O)OCC

Isomeric SMILES

CCOC(=O)C1=C(N=C(N1)SC2=NC=C(S2)[N+](=O)[O-])C(=O)OCC

InChI

InChI=1S/C12H12N4O6S2/c1-3-21-9(17)7-8(10(18)22-4-2)15-11(14-7)24-12-13-5-6(23-12)16(19)20/h5H,3-4H2,1-2H3,(H,14,15)