[(1R,2S,5S)-5-methyl-2-propan-2-yl-cyclohexyl] 2-(1-methylimidazol-2-yl)sulfanylethanoate

Systemtic Name: [(1R,2S,5S)-5-methyl-2-propan-2-yl-cyclohexyl] 2-(1-methylimidazol-2-yl)sulfanylethanoate Openeye Name: [(1R,2S,5S)-2-isopropyl-5-methyl-cyclohexyl] 2-(1-methylimidazol-2-yl)sulfanylacetate CAS Name: 2-[(1-methyl-2-imidazolyl)thio]acetic acid [(1R,2S,5S)-5-methyl-2-propan-2-ylcyclohexyl] ester IUPAC Name: [(1R,2S,5S)-5-methyl-2-propan-2-ylcyclohexyl] 2-(1-methylimidazol-2-yl)sulfanylacetate Traditional Name: 2-[(1-methylimidazol-2-yl)thio]acetic acid [(1R,2S,5S)-2-isopropyl-5-methyl-cyclohexyl] ester Formula: C16H26N2O2S MolecularWeight: 310.45484

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)CSC2=NC=CN2C)C(C)C

Isomeric SMILES

C[C@H]1CC[C@H]([C@@H](C1)OC(=O)CSC2=NC=CN2C)C(C)C

InChI

InChI=1S/C16H26N2O2S/c1-11(2)13-6-5-12(3)9-14(13)20-15(19)10-21-16-17-7-8-18(16)4/h7-8,11-14H,5-6,9-10H2,1-4H3/t12-,13-,14+/m0/s1