2-[1-[(1S,2R,3S)-2,3-dimethylcyclohexyl]imidazol-2-yl]sulfanylethanoate

Systemtic Name: 2-[1-[(1S,2R,3S)-2,3-dimethylcyclohexyl]imidazol-2-yl]sulfanylethanoate Openeye Name: 2-[1-[(1S,2R,3S)-2,3-dimethylcyclohexyl]imidazol-2-yl]sulfanylacetate CAS Name: 2-[[1-[(1S,2R,3S)-2,3-dimethylcyclohexyl]-2-imidazolyl]thio]acetate IUPAC Name: 2-[1-[(1S,2R,3S)-2,3-dimethylcyclohexyl]imidazol-2-yl]sulfanylacetate Traditional Name: 2-[[1-[(1S,2R,3S)-2,3-dimethylcyclohexyl]imidazol-2-yl]thio]acetate Formula: C13H19N2O2S- MolecularWeight: 267.36716

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1C)N2C=CN=C2SCC(=O)[O-]

Isomeric SMILES

C[C@H]1CCC[C@@H]([C@@H]1C)N2C=CN=C2SCC(=O)[O-]

InChI

InChI=1S/C13H20N2O2S/c1-9-4-3-5-11(10(9)2)15-7-6-14-13(15)18-8-12(16)17/h6-7,9-11H,3-5,8H2,1-2H3,(H,16,17)/p-1/t9-,10+,11-/m0/s1