methyl (2S)-2-[(1S,2S)-5,5-dimethyl-2-prop-1-en-2-yl-cyclohexyl]-2-(4-methylphenyl)sulfanyl-ethanoate

Systemtic Name: methyl (2S)-2-[(1S,2S)-5,5-dimethyl-2-prop-1-en-2-yl-cyclohexyl]-2-(4-methylphenyl)sulfanyl-ethanoate Openeye Name: methyl (2S)-2-[(1S,2S)-2-isopropenyl-5,5-dimethyl-cyclohexyl]-2-(p-tolylsulfanyl)acetate CAS Name: (2S)-2-[(1S,2S)-5,5-dimethyl-2-(1-methylethenyl)cyclohexyl]-2-[(4-methylphenyl)thio]acetic acid methyl ester IUPAC Name: methyl (2S)-2-[(1S,2S)-5,5-dimethyl-2-prop-1-en-2-ylcyclohexyl]-2-(4-methylphenyl)sulfanylacetate Traditional Name: (2S)-2-[(1S,2S)-2-isopropenyl-5,5-dimethyl-cyclohexyl]-2-(p-tolylthio)acetic acid methyl ester Formula: C21H30O2S MolecularWeight: 346.5267

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC(C2CC(CCC2C(=C)C)(C)C)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S[C@@H]([C@H]2CC(CC[C@@H]2C(=C)C)(C)C)C(=O)OC

InChI

InChI=1S/C21H30O2S/c1-14(2)17-11-12-21(4,5)13-18(17)19(20(22)23-6)24-16-9-7-15(3)8-10-16/h7-10,17-19H,1,11-13H2,2-6H3/t17-,18+,19+/m1/s1