methyl 2-[(1S,3R,4R)-4-ethenyl-4-methyl-3-prop-1-en-2-yl-cyclohexyl]-2-phenylsulfanyl-butanoate

Systemtic Name: methyl 2-[(1S,3R,4R)-4-ethenyl-4-methyl-3-prop-1-en-2-yl-cyclohexyl]-2-phenylsulfanyl-butanoate Openeye Name: methyl 2-[(1S,3R,4R)-3-isopropenyl-4-methyl-4-vinyl-cyclohexyl]-2-phenylsulfanyl-butanoate CAS Name: 2-[(1S,3R,4R)-4-ethenyl-4-methyl-3-(1-methylethenyl)cyclohexyl]-2-(phenylthio)butanoic acid methyl ester IUPAC Name: methyl 2-[(1S,3R,4R)-4-ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexyl]-2-phenylsulfanylbutanoate Traditional Name: 2-[(1S,3R,4R)-3-isopropenyl-4-methyl-4-vinyl-cyclohexyl]-2-(phenylthio)butyric acid methyl ester Formula: C23H32O2S MolecularWeight: 372.56398

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1CCC(C(C1)C(=C)C)(C)C=C)(C(=O)OC)SC2=CC=CC=C2

Isomeric SMILES

CCC([C@H]1CC[C@]([C@H](C1)C(=C)C)(C)C=C)(C(=O)OC)SC2=CC=CC=C2

InChI

InChI=1S/C23H32O2S/c1-7-22(5)15-14-18(16-20(22)17(3)4)23(8-2,21(24)25-6)26-19-12-10-9-11-13-19/h7,9-13,18,20H,1,3,8,14-16H2,2,4-6H3/t18-,20+,22-,23?/m0/s1