[(1S,2S,5S)-5-methyl-2-propan-2-yl-cyclohexyl] 2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanylethanoate

Systemtic Name: [(1S,2S,5S)-5-methyl-2-propan-2-yl-cyclohexyl] 2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanylethanoate Openeye Name: [(1S,2S,5S)-2-isopropyl-5-methyl-cyclohexyl] 2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanylacetate CAS Name: 2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]acetic acid [(1S,2S,5S)-5-methyl-2-propan-2-ylcyclohexyl] ester IUPAC Name: [(1S,2S,5S)-5-methyl-2-propan-2-ylcyclohexyl] 2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetate Traditional Name: 2-[(4-methyl-6-phenyl-pyrimidin-2-yl)thio]acetic acid [(1S,2S,5S)-2-isopropyl-5-methyl-cyclohexyl] ester Formula: C23H30N2O2S MolecularWeight: 398.5615

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)CSC2=NC(=CC(=N2)C)C3=CC=CC=C3)C(C)C

Isomeric SMILES

C[C@H]1CC[C@H]([C@H](C1)OC(=O)CSC2=NC(=CC(=N2)C)C3=CC=CC=C3)C(C)C

InChI

InChI=1S/C23H30N2O2S/c1-15(2)19-11-10-16(3)12-21(19)27-22(26)14-28-23-24-17(4)13-20(25-23)18-8-6-5-7-9-18/h5-9,13,15-16,19,21H,10-12,14H2,1-4H3/t16-,19-,21-/m0/s1