[(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl] 3,3-dimethyl-2-phenylsulfanyl-pent-4-enoate

Systemtic Name: [(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl] 3,3-dimethyl-2-phenylsulfanyl-pent-4-enoate Openeye Name: [(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] 3,3-dimethyl-2-phenylsulfanyl-pent-4-enoate CAS Name: 3,3-dimethyl-2-(phenylthio)-4-pentenoic acid [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] ester IUPAC Name: [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 3,3-dimethyl-2-phenylsulfanylpent-4-enoate Traditional Name: 3,3-dimethyl-2-(phenylthio)pent-4-enoic acid [(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] ester Formula: C23H34O2S MolecularWeight: 374.57986

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)C(C(C)(C)C=C)SC2=CC=CC=C2)C(C)C

Isomeric SMILES

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

InChI

InChI=1S/C23H34O2S/c1-7-23(5,6)21(26-18-11-9-8-10-12-18)22(24)25-20-15-17(4)13-14-19(20)16(2)3/h7-12,16-17,19-21H,1,13-15H2,2-6H3/t17-,19+,20-,21?/m1/s1