[(1S,2S,5S)-5-methyl-2-propan-2-yl-cyclohexyl] 2-(5-methylpyrimidin-2-yl)sulfanylethanoate

Systemtic Name: [(1S,2S,5S)-5-methyl-2-propan-2-yl-cyclohexyl] 2-(5-methylpyrimidin-2-yl)sulfanylethanoate Openeye Name: [(1S,2S,5S)-2-isopropyl-5-methyl-cyclohexyl] 2-(5-methylpyrimidin-2-yl)sulfanylacetate CAS Name: 2-[(5-methyl-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-(5-methylpyrimidin-2-yl)sulfanylacetate Traditional Name: 2-[(5-methylpyrimidin-2-yl)thio]acetic acid [(1S,2S,5S)-2-isopropyl-5-methyl-cyclohexyl] ester Formula: C17H26N2O2S MolecularWeight: 322.46554

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H26N2O2S/c1-11(2)14-6-5-12(3)7-15(14)21-16(20)10-22-17-18-8-13(4)9-19-17/h8-9,11-12,14-15H,5-7,10H2,1-4H3/t12-,14-,15-/m0/s1