[4-[5-(4-ethylcyclohexyl)pyrimidin-2-yl]phenyl] 2-pentyl-1,3-dithiane-5-carboxylate

Systemtic Name: [4-[5-(4-ethylcyclohexyl)pyrimidin-2-yl]phenyl] 2-pentyl-1,3-dithiane-5-carboxylate Openeye Name: [4-[5-(4-ethylcyclohexyl)pyrimidin-2-yl]phenyl] 2-pentyl-1,3-dithiane-5-carboxylate CAS Name: 2-pentyl-1,3-dithiane-5-carboxylic acid [4-[5-(4-ethylcyclohexyl)-2-pyrimidinyl]phenyl] ester IUPAC Name: [4-[5-(4-ethylcyclohexyl)pyrimidin-2-yl]phenyl] 2-pentyl-1,3-dithiane-5-carboxylate Traditional Name: 2-amyl-1,3-dithiane-5-carboxylic acid [4-[5-(4-ethylcyclohexyl)pyrimidin-2-yl]phenyl] ester Formula: C28H38N2O2S2 MolecularWeight: 498.74352

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1SCC(CS1)C(=O)OC2=CC=C(C=C2)C3=NC=C(C=N3)C4CCC(CC4)CC

Isomeric SMILES

CCCCCC1SCC(CS1)C(=O)OC2=CC=C(C=C2)C3=NC=C(C=N3)C4CCC(CC4)CC

InChI

InChI=1S/C28H38N2O2S2/c1-3-5-6-7-26-33-18-24(19-34-26)28(31)32-25-14-12-22(13-15-25)27-29-16-23(17-30-27)21-10-8-20(4-2)9-11-21/h12-17,20-21,24,26H,3-11,18-19H2,1-2H3