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

Systemtic Name: [(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl] 2-(2-methoxyphenyl)sulfanylprop-2-enoate Openeye Name: [(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] 2-(2-methoxyphenyl)sulfanylprop-2-enoate CAS Name: 2-[(2-methoxyphenyl)thio]-2-propenoic 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)sulfanylprop-2-enoate Traditional Name: 2-[(2-methoxyphenyl)thio]acrylic acid [(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] ester Formula: C20H28O3S MolecularWeight: 348.49952

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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/C20H28O3S/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/h6-9,13-14,16,18H,4,10-12H2,1-3,5H3/t14-,16+,18-/m1/s1