[(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] 2-chloranyl-2-phenylsulfanyl-ethanoate

Systemtic Name: [(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] 2-chloranyl-2-phenylsulfanyl-ethanoate Openeye Name: [(1R,2S,5R)-5-methyl-2-(1-methyl-1-phenyl-ethyl)cyclohexyl] 2-chloro-2-phenylsulfanyl-acetate CAS Name: 2-chloro-2-(phenylthio)acetic acid [(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] ester IUPAC Name: [(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] 2-chloro-2-phenylsulfanylacetate Traditional Name: 2-chloro-2-(phenylthio)acetic acid [(1R,2S,5R)-2-cumyl-5-methyl-cyclohexyl] ester Formula: C24H29ClO2S MolecularWeight: 417.00386

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)C(SC2=CC=CC=C2)Cl)C(C)(C)C3=CC=CC=C3

Isomeric SMILES

C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)C(SC2=CC=CC=C2)Cl)C(C)(C)C3=CC=CC=C3

InChI

InChI=1S/C24H29ClO2S/c1-17-14-15-20(24(2,3)18-10-6-4-7-11-18)21(16-17)27-23(26)22(25)28-19-12-8-5-9-13-19/h4-13,17,20-22H,14-16H2,1-3H3/t17-,20-,21-,22?/m1/s1