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

Systemtic Name: [(1S,2R,5S)-5-methyl-2-propan-2-yl-cyclohexyl] 2-thiocyanatoethanoate Openeye Name: [(1S,2R,5S)-2-isopropyl-5-methyl-cyclohexyl] 2-thiocyanatoacetate CAS Name: 2-thiocyanatoacetic acid [(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] ester IUPAC Name: [(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] 2-thiocyanatoacetate Traditional Name: 2-thiocyanatoacetic acid [(1S,2R,5S)-2-isopropyl-5-methyl-cyclohexyl] ester Formula: C13H21NO2S MolecularWeight: 255.37634

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)CSC#N)C(C)C

Isomeric SMILES

C[C@H]1CC[C@@H]([C@H](C1)OC(=O)CSC#N)C(C)C

InChI

InChI=1S/C13H21NO2S/c1-9(2)11-5-4-10(3)6-12(11)16-13(15)7-17-8-14/h9-12H,4-7H2,1-3H3/t10-,11+,12-/m0/s1