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

Systemtic Name: [(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl] (2R,3S)-3-phenyl-2-phenylsulfanyl-pent-4-enoate Openeye Name: [(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] (2R,3S)-3-phenyl-2-phenylsulfanyl-pent-4-enoate CAS Name: (2R,3S)-3-phenyl-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] (2R,3S)-3-phenyl-2-phenylsulfanylpent-4-enoate Traditional Name: (2R,3S)-3-phenyl-2-(phenylthio)pent-4-enoic acid [(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] ester Formula: C27H34O2S MolecularWeight: 422.62266

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)C(C(C=C)C2=CC=CC=C2)SC3=CC=CC=C3)C(C)C

Isomeric SMILES

C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)[C@@H]([C@@H](C=C)C2=CC=CC=C2)SC3=CC=CC=C3)C(C)C

InChI

InChI=1S/C27H34O2S/c1-5-23(21-12-8-6-9-13-21)26(30-22-14-10-7-11-15-22)27(28)29-25-18-20(4)16-17-24(25)19(2)3/h5-15,19-20,23-26H,1,16-18H2,2-4H3/t20-,23+,24+,25-,26-/m1/s1