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

Systemtic Name: [4-[5-(4-octylcyclohexyl)pyrimidin-2-yl]phenyl] 2-pentyl-1,3-dithiane-5-carboxylate Openeye Name: [4-[5-(4-octylcyclohexyl)pyrimidin-2-yl]phenyl] 2-pentyl-1,3-dithiane-5-carboxylate CAS Name: 2-pentyl-1,3-dithiane-5-carboxylic acid [4-[5-(4-octylcyclohexyl)-2-pyrimidinyl]phenyl] ester IUPAC Name: [4-[5-(4-octylcyclohexyl)pyrimidin-2-yl]phenyl] 2-pentyl-1,3-dithiane-5-carboxylate Traditional Name: 2-amyl-1,3-dithiane-5-carboxylic acid [4-[5-(4-octylcyclohexyl)pyrimidin-2-yl]phenyl] ester Formula: C34H50N2O2S2 MolecularWeight: 582.903

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1CCC(CC1)C2=CN=C(N=C2)C3=CC=C(C=C3)OC(=O)C4CSC(SC4)CCCCC

Isomeric SMILES

CCCCCCCCC1CCC(CC1)C2=CN=C(N=C2)C3=CC=C(C=C3)OC(=O)C4CSC(SC4)CCCCC

InChI

InChI=1S/C34H50N2O2S2/c1-3-5-7-8-9-11-12-26-14-16-27(17-15-26)29-22-35-33(36-23-29)28-18-20-31(21-19-28)38-34(37)30-24-39-32(40-25-30)13-10-6-4-2/h18-23,26-27,30,32H,3-17,24-25H2,1-2H3