O-[(1S,6R,8R)-6-methyl-4-oxidanylidene-8-bicyclo[4.2.0]octanyl] imidazole-1-carbothioate

Systemtic Name: O-[(1S,6R,8R)-6-methyl-4-oxidanylidene-8-bicyclo[4.2.0]octanyl] imidazole-1-carbothioate Openeye Name: O-[(1S,6R,8R)-6-methyl-4-oxo-8-bicyclo[4.2.0]octanyl] imidazole-1-carbothioate CAS Name: 1-imidazolecarbothioic acid O-[(1S,6R,8R)-6-methyl-4-oxo-8-bicyclo[4.2.0]octanyl] ester IUPAC Name: O-[(1S,6R,8R)-6-methyl-4-oxo-8-bicyclo[4.2.0]octanyl] imidazole-1-carbothioate Traditional Name: imidazole-1-carbothioic acid O-[(1S,6R,8R)-4-keto-6-methyl-8-bicyclo[4.2.0]octanyl] ester Formula: C13H16N2O2S MolecularWeight: 264.34334

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Descriptors Computed from Structure

Canonical SMILES:

CC12CC(C1CCC(=O)C2)OC(=S)N3C=CN=C3

Isomeric SMILES

C[C@]12C[C@H]([C@H]1CCC(=O)C2)OC(=S)N3C=CN=C3

InChI

InChI=1S/C13H16N2O2S/c1-13-6-9(16)2-3-10(13)11(7-13)17-12(18)15-5-4-14-8-15/h4-5,8,10-11H,2-3,6-7H2,1H3/t10-,11-,13+/m1/s1