methyl (Z)-5-[(1S)-2,2-dimethyl-6-methylidene-cyclohexyl]-3-phenylsulfanyl-pent-2-enoate

Systemtic Name: methyl (Z)-5-[(1S)-2,2-dimethyl-6-methylidene-cyclohexyl]-3-phenylsulfanyl-pent-2-enoate Openeye Name: methyl (Z)-5-[(1S)-2,2-dimethyl-6-methylene-cyclohexyl]-3-phenylsulfanyl-pent-2-enoate CAS Name: (Z)-5-[(1S)-2,2-dimethyl-6-methylenecyclohexyl]-3-(phenylthio)-2-pentenoic acid methyl ester IUPAC Name: methyl (Z)-5-[(1S)-2,2-dimethyl-6-methylidenecyclohexyl]-3-phenylsulfanylpent-2-enoate Traditional Name: (Z)-5-[(1S)-2,2-dimethyl-6-methylene-cyclohexyl]-3-(phenylthio)pent-2-enoic acid methyl ester Formula: C21H28O2S MolecularWeight: 344.51082

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCCC(=C)C1CCC(=CC(=O)OC)SC2=CC=CC=C2)C

Isomeric SMILES

CC1(CCCC(=C)[C@H]1CC/C(=C/C(=O)OC)/SC2=CC=CC=C2)C

InChI

InChI=1S/C21H28O2S/c1-16-9-8-14-21(2,3)19(16)13-12-18(15-20(22)23-4)24-17-10-6-5-7-11-17/h5-7,10-11,15,19H,1,8-9,12-14H2,2-4H3/b18-15-/t19-/m1/s1