[4-(2-octylsulfanylpyrimidin-5-yl)phenyl] 5-ethenyl-2,2-dimethyl-1,3-dioxolane-4-carboxylate

Systemtic Name: [4-(2-octylsulfanylpyrimidin-5-yl)phenyl] 5-ethenyl-2,2-dimethyl-1,3-dioxolane-4-carboxylate Openeye Name: [4-(2-octylsulfanylpyrimidin-5-yl)phenyl] 2,2-dimethyl-5-vinyl-1,3-dioxolane-4-carboxylate CAS Name: 5-ethenyl-2,2-dimethyl-1,3-dioxolane-4-carboxylic acid [4-[2-(octylthio)-5-pyrimidinyl]phenyl] ester IUPAC Name: [4-(2-octylsulfanylpyrimidin-5-yl)phenyl] 5-ethenyl-2,2-dimethyl-1,3-dioxolane-4-carboxylate Traditional Name: 2,2-dimethyl-5-vinyl-1,3-dioxolane-4-carboxylic acid [4-[2-(octylthio)pyrimidin-5-yl]phenyl] ester Formula: C26H34N2O4S MolecularWeight: 470.62416

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCSC1=NC=C(C=N1)C2=CC=C(C=C2)OC(=O)C3C(OC(O3)(C)C)C=C

Isomeric SMILES

CCCCCCCCSC1=NC=C(C=N1)C2=CC=C(C=C2)OC(=O)C3C(OC(O3)(C)C)C=C

InChI

InChI=1S/C26H34N2O4S/c1-5-7-8-9-10-11-16-33-25-27-17-20(18-28-25)19-12-14-21(15-13-19)30-24(29)23-22(6-2)31-26(3,4)32-23/h6,12-15,17-18,22-23H,2,5,7-11,16H2,1,3-4H3