[(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] (2S)-2-methylsulfanylcarbothioyloxy-2-phenyl-propanoate

Systemtic Name: [(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] (2S)-2-methylsulfanylcarbothioyloxy-2-phenyl-propanoate Openeye Name: [(1R,2S,5R)-5-methyl-2-(1-methyl-1-phenyl-ethyl)cyclohexyl] (2S)-2-methylsulfanylcarbothioyloxy-2-phenyl-propanoate CAS Name: (2S)-2-[(methylthio)-sulfanylidenemethoxy]-2-phenylpropanoic 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] (2S)-2-methylsulfanylcarbothioyloxy-2-phenylpropanoate Traditional Name: (2S)-2-(methylthio)carbothioyloxy-2-phenyl-propionic acid [(1R,2S,5R)-2-cumyl-5-methyl-cyclohexyl] ester Formula: C27H34O3S2 MolecularWeight: 470.68706

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)C(C)(C2=CC=CC=C2)OC(=S)SC)C(C)(C)C3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C27H34O3S2/c1-19-16-17-22(26(2,3)20-12-8-6-9-13-20)23(18-19)29-24(28)27(4,30-25(31)32-5)21-14-10-7-11-15-21/h6-15,19,22-23H,16-18H2,1-5H3/t19-,22-,23-,27+/m1/s1