[(1S,2R,5S)-5-methyl-2-propan-2-yl-cyclohexyl] 2-(4,6,8-trimethylquinolin-2-yl)sulfanylethanoate

Systemtic Name: [(1S,2R,5S)-5-methyl-2-propan-2-yl-cyclohexyl] 2-(4,6,8-trimethylquinolin-2-yl)sulfanylethanoate Openeye Name: [(1S,2R,5S)-2-isopropyl-5-methyl-cyclohexyl] 2-[(4,6,8-trimethyl-2-quinolyl)sulfanyl]acetate CAS Name: 2-[(4,6,8-trimethyl-2-quinolinyl)thio]acetic acid [(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] ester IUPAC Name: [(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] 2-(4,6,8-trimethylquinolin-2-yl)sulfanylacetate Traditional Name: 2-[(4,6,8-trimethyl-2-quinolyl)thio]acetic acid [(1S,2R,5S)-2-isopropyl-5-methyl-cyclohexyl] ester Formula: C24H33NO2S MolecularWeight: 399.58932

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)CSC2=NC3=C(C=C(C=C3C(=C2)C)C)C)C(C)C

Isomeric SMILES

C[C@H]1CC[C@@H]([C@H](C1)OC(=O)CSC2=NC3=C(C=C(C=C3C(=C2)C)C)C)C(C)C

InChI

InChI=1S/C24H33NO2S/c1-14(2)19-8-7-15(3)11-21(19)27-23(26)13-28-22-12-17(5)20-10-16(4)9-18(6)24(20)25-22/h9-10,12,14-15,19,21H,7-8,11,13H2,1-6H3/t15-,19+,21-/m0/s1