[1,4-bis(oxidanyl)imidazol-2-yl] 1-methanethioyloxy-2-oxidanylidene-cyclohexane-1-carboxylate

Systemtic Name: [1,4-bis(oxidanyl)imidazol-2-yl] 1-methanethioyloxy-2-oxidanylidene-cyclohexane-1-carboxylate Openeye Name: (1,4-dihydroxyimidazol-2-yl) 1-methanethioyloxy-2-oxo-cyclohexanecarboxylate CAS Name: 1-methanethioyloxy-2-oxo-1-cyclohexanecarboxylic acid (1,4-dihydroxy-2-imidazolyl) ester IUPAC Name: (1,4-dihydroxyimidazol-2-yl) 1-methanethioyloxy-2-oxocyclohexane-1-carboxylate Traditional Name: 2-keto-1-thioformyloxy-cyclohexanecarboxylic acid (1,4-dihydroxyimidazol-2-yl) ester Formula: C11H12N2O6S MolecularWeight: 300.28778

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(=O)C1)(C(=O)OC2=NC(=CN2O)O)OC=S

Isomeric SMILES

C1CCC(C(=O)C1)(C(=O)OC2=NC(=CN2O)O)OC=S

InChI

InChI=1S/C11H12N2O6S/c14-7-3-1-2-4-11(7,18-6-20)9(16)19-10-12-8(15)5-13(10)17/h5-6,15,17H,1-4H2