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

Systemtic Name: [(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl] 2-(2-methoxyphenyl)sulfanylpropanoate Openeye Name: [(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] 2-(2-methoxyphenyl)sulfanylpropanoate CAS Name: 2-[(2-methoxyphenyl)thio]propanoic acid [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] ester IUPAC Name: [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-(2-methoxyphenyl)sulfanylpropanoate Traditional Name: 2-[(2-methoxyphenyl)thio]propionic acid [(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] ester Formula: C20H30O3S MolecularWeight: 350.5154

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)C(C)SC2=CC=CC=C2OC)C(C)C

Isomeric SMILES

C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)C(C)SC2=CC=CC=C2OC)C(C)C

InChI

InChI=1S/C20H30O3S/c1-13(2)16-11-10-14(3)12-18(16)23-20(21)15(4)24-19-9-7-6-8-17(19)22-5/h6-9,13-16,18H,10-12H2,1-5H3/t14-,15?,16+,18-/m1/s1