[4-(2-octylsulfanylpyrimidin-5-yl)phenyl] 2-hexylcyclopropane-1-carboxylate

Systemtic Name: [4-(2-octylsulfanylpyrimidin-5-yl)phenyl] 2-hexylcyclopropane-1-carboxylate Openeye Name: [4-(2-octylsulfanylpyrimidin-5-yl)phenyl] 2-hexylcyclopropanecarboxylate CAS Name: 2-hexyl-1-cyclopropanecarboxylic acid [4-[2-(octylthio)-5-pyrimidinyl]phenyl] ester IUPAC Name: [4-(2-octylsulfanylpyrimidin-5-yl)phenyl] 2-hexylcyclopropane-1-carboxylate Traditional Name: 2-hexylcyclopropanecarboxylic acid [4-[2-(octylthio)pyrimidin-5-yl]phenyl] ester Formula: C28H40N2O2S MolecularWeight: 468.6944

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCSC1=NC=C(C=N1)C2=CC=C(C=C2)OC(=O)C3CC3CCCCCC

Isomeric SMILES

CCCCCCCCSC1=NC=C(C=N1)C2=CC=C(C=C2)OC(=O)C3CC3CCCCCC

InChI

InChI=1S/C28H40N2O2S/c1-3-5-7-9-10-12-18-33-28-29-20-24(21-30-28)22-14-16-25(17-15-22)32-27(31)26-19-23(26)13-11-8-6-4-2/h14-17,20-21,23,26H,3-13,18-19H2,1-2H3