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

Systemtic Name: [4-[5-(4-butylcyclohexyl)pyrimidin-2-yl]phenyl] 2-pentyl-1,3-dithiane-5-carboxylate Openeye Name: [4-[5-(4-butylcyclohexyl)pyrimidin-2-yl]phenyl] 2-pentyl-1,3-dithiane-5-carboxylate CAS Name: 2-pentyl-1,3-dithiane-5-carboxylic acid [4-[5-(4-butylcyclohexyl)-2-pyrimidinyl]phenyl] ester IUPAC Name: [4-[5-(4-butylcyclohexyl)pyrimidin-2-yl]phenyl] 2-pentyl-1,3-dithiane-5-carboxylate Traditional Name: 2-amyl-1,3-dithiane-5-carboxylic acid [4-[5-(4-butylcyclohexyl)pyrimidin-2-yl]phenyl] ester Formula: C30H42N2O2S2 MolecularWeight: 526.79668

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H42N2O2S2/c1-3-5-7-9-28-35-20-26(21-36-28)30(33)34-27-16-14-24(15-17-27)29-31-18-25(19-32-29)23-12-10-22(11-13-23)8-6-4-2/h14-19,22-23,26,28H,3-13,20-21H2,1-2H3