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

Systemtic Name: methyl 2-[(1S,3R,4R)-4-ethenyl-4-methyl-3-prop-1-en-2-yl-cyclohexyl]-2-phenylsulfanyl-ethanoate Openeye Name: methyl 2-[(1S,3R,4R)-3-isopropenyl-4-methyl-4-vinyl-cyclohexyl]-2-phenylsulfanyl-acetate CAS Name: 2-[(1S,3R,4R)-4-ethenyl-4-methyl-3-(1-methylethenyl)cyclohexyl]-2-(phenylthio)acetic acid methyl ester IUPAC Name: methyl 2-[(1S,3R,4R)-4-ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexyl]-2-phenylsulfanylacetate Traditional Name: 2-[(1S,3R,4R)-3-isopropenyl-4-methyl-4-vinyl-cyclohexyl]-2-(phenylthio)acetic acid methyl ester Formula: C21H28O2S MolecularWeight: 344.51082

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C1CC(CCC1(C)C=C)C(C(=O)OC)SC2=CC=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C21H28O2S/c1-6-21(4)13-12-16(14-18(21)15(2)3)19(20(22)23-5)24-17-10-8-7-9-11-17/h6-11,16,18-19H,1-2,12-14H2,3-5H3/t16-,18+,19?,21-/m0/s1