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

Systemtic Name: 2-[1-[(1R,2S)-2-methylcyclohexyl]imidazol-2-yl]sulfanylethanoate Openeye Name: 2-[1-[(1R,2S)-2-methylcyclohexyl]imidazol-2-yl]sulfanylacetate CAS Name: 2-[[1-[(1R,2S)-2-methylcyclohexyl]-2-imidazolyl]thio]acetate IUPAC Name: 2-[1-[(1R,2S)-2-methylcyclohexyl]imidazol-2-yl]sulfanylacetate Traditional Name: 2-[[1-[(1R,2S)-2-methylcyclohexyl]imidazol-2-yl]thio]acetate Formula: C12H17N2O2S- MolecularWeight: 253.34058

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1N2C=CN=C2SCC(=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C12H18N2O2S/c1-9-4-2-3-5-10(9)14-7-6-13-12(14)17-8-11(15)16/h6-7,9-10H,2-5,8H2,1H3,(H,15,16)/p-1/t9-,10+/m0/s1