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

Systemtic Name: diethyl 1-cyclohexyl-2-[(5-nitro-1,3-thiazol-2-yl)sulfanyl]imidazole-4,5-dicarboxylate Openeye Name: diethyl 1-cyclohexyl-2-(5-nitrothiazol-2-yl)sulfanyl-imidazole-4,5-dicarboxylate CAS Name: 1-cyclohexyl-2-[(5-nitro-2-thiazolyl)thio]imidazole-4,5-dicarboxylic acid diethyl ester IUPAC Name: diethyl 1-cyclohexyl-2-[(5-nitro-1,3-thiazol-2-yl)sulfanyl]imidazole-4,5-dicarboxylate Traditional Name: 1-cyclohexyl-2-[(5-nitrothiazol-2-yl)thio]imidazole-4,5-dicarboxylic acid diethyl ester Formula: C18H22N4O6S2 MolecularWeight: 454.52048

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=N1)SC2=NC=C(S2)[N+](=O)[O-])C3CCCCC3)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1=C(N(C(=N1)SC2=NC=C(S2)[N+](=O)[O-])C3CCCCC3)C(=O)OCC

InChI

InChI=1S/C18H22N4O6S2/c1-3-27-15(23)13-14(16(24)28-4-2)21(11-8-6-5-7-9-11)17(20-13)30-18-19-10-12(29-18)22(25)26/h10-11H,3-9H2,1-2H3