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

Systemtic Name: 2-[1-[(1R,2S)-2-methylcyclohexyl]benzimidazol-2-yl]sulfanylethanoate Openeye Name: 2-[1-[(1R,2S)-2-methylcyclohexyl]benzimidazol-2-yl]sulfanylacetate CAS Name: 2-[[1-[(1R,2S)-2-methylcyclohexyl]-2-benzimidazolyl]thio]acetate IUPAC Name: 2-[1-[(1R,2S)-2-methylcyclohexyl]benzimidazol-2-yl]sulfanylacetate Traditional Name: 2-[[1-[(1R,2S)-2-methylcyclohexyl]benzimidazol-2-yl]thio]acetate Formula: C16H19N2O2S- MolecularWeight: 303.39926

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1N2C3=CC=CC=C3N=C2SCC(=O)[O-]

Isomeric SMILES

C[C@H]1CCCC[C@H]1N2C3=CC=CC=C3N=C2SCC(=O)[O-]

InChI

InChI=1S/C16H20N2O2S/c1-11-6-2-4-8-13(11)18-14-9-5-3-7-12(14)17-16(18)21-10-15(19)20/h3,5,7,9,11,13H,2,4,6,8,10H2,1H3,(H,19,20)/p-1/t11-,13+/m0/s1