[(1S,2R,5S)-5-methyl-2-propan-2-yl-cyclohexyl] (3R)-3-(2-sulfanylidenepyrrolidin-1-yl)hexanoate

Systemtic Name: [(1S,2R,5S)-5-methyl-2-propan-2-yl-cyclohexyl] (3R)-3-(2-sulfanylidenepyrrolidin-1-yl)hexanoate Openeye Name: [(1S,2R,5S)-2-isopropyl-5-methyl-cyclohexyl] (3R)-3-(2-thioxopyrrolidin-1-yl)hexanoate CAS Name: (3R)-3-(2-sulfanylidene-1-pyrrolidinyl)hexanoic acid [(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] ester IUPAC Name: [(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] (3R)-3-(2-sulfanylidenepyrrolidin-1-yl)hexanoate Traditional Name: (3R)-3-(2-thioxopyrrolidino)hexanoic acid [(1S,2R,5S)-2-isopropyl-5-methyl-cyclohexyl] ester Formula: C20H35NO2S MolecularWeight: 353.5624

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CC(=O)OC1CC(CCC1C(C)C)C)N2CCCC2=S

Isomeric SMILES

CCC[C@H](CC(=O)O[C@H]1C[C@H](CC[C@@H]1C(C)C)C)N2CCCC2=S

InChI

InChI=1S/C20H35NO2S/c1-5-7-16(21-11-6-8-19(21)24)13-20(22)23-18-12-15(4)9-10-17(18)14(2)3/h14-18H,5-13H2,1-4H3/t15-,16+,17+,18-/m0/s1