ethyl 4-azanyl-2-[3-(2-ethoxy-2-oxidanylidene-ethyl)-5-nitro-imidazol-4-yl]sulfanyl-1H-imidazole-5-carboxylate

Systemtic Name: ethyl 4-azanyl-2-[3-(2-ethoxy-2-oxidanylidene-ethyl)-5-nitro-imidazol-4-yl]sulfanyl-1H-imidazole-5-carboxylate Openeye Name: ethyl 4-amino-2-[3-(2-ethoxy-2-oxo-ethyl)-5-nitro-imidazol-4-yl]sulfanyl-1H-imidazole-5-carboxylate CAS Name: 4-amino-2-[[3-(2-ethoxy-2-oxoethyl)-5-nitro-4-imidazolyl]thio]-1H-imidazole-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-[3-(2-ethoxy-2-oxoethyl)-5-nitroimidazol-4-yl]sulfanyl-1H-imidazole-5-carboxylate Traditional Name: 4-amino-2-[[3-(2-ethoxy-2-keto-ethyl)-5-nitro-imidazol-4-yl]thio]-1H-imidazole-5-carboxylic acid ethyl ester Formula: C13H16N6O6S MolecularWeight: 384.36774

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C=NC(=C1SC2=NC(=C(N2)C(=O)OCC)N)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)CN1C=NC(=C1SC2=NC(=C(N2)C(=O)OCC)N)[N+](=O)[O-]

InChI

InChI=1S/C13H16N6O6S/c1-3-24-7(20)5-18-6-15-10(19(22)23)11(18)26-13-16-8(9(14)17-13)12(21)25-4-2/h6H,3-5,14H2,1-2H3,(H,16,17)