[4,5-diacetyloxy-6-[6-(4-chlorophenyl)-5-cyano-2-methylsulfanyl-4-oxidanylidene-1,2-dihydropyrimidin-3-yl]oxan-3-yl] ethanoate

Systemtic Name: [4,5-diacetyloxy-6-[6-(4-chlorophenyl)-5-cyano-2-methylsulfanyl-4-oxidanylidene-1,2-dihydropyrimidin-3-yl]oxan-3-yl] ethanoate Openeye Name: [4,5-diacetoxy-6-[6-(4-chlorophenyl)-5-cyano-2-methylsulfanyl-4-oxo-1,2-dihydropyrimidin-3-yl]tetrahydropyran-3-yl] acetate CAS Name: acetic acid [4,5-diacetyloxy-6-[6-(4-chlorophenyl)-5-cyano-2-(methylthio)-4-oxo-1,2-dihydropyrimidin-3-yl]-3-oxanyl] ester IUPAC Name: [4,5-diacetyloxy-6-[6-(4-chlorophenyl)-5-cyano-2-methylsulfanyl-4-oxo-1,2-dihydropyrimidin-3-yl]oxan-3-yl] acetate Traditional Name: acetic acid [4,5-diacetoxy-6-[6-(4-chlorophenyl)-5-cyano-4-keto-2-(methylthio)-1,2-dihydropyrimidin-3-yl]tetrahydropyran-3-yl] ester Formula: C23H24ClN3O8S MolecularWeight: 537.96996

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1COC(C(C1OC(=O)C)OC(=O)C)N2C(NC(=C(C2=O)C#N)C3=CC=C(C=C3)Cl)SC

Isomeric SMILES

CC(=O)OC1COC(C(C1OC(=O)C)OC(=O)C)N2C(NC(=C(C2=O)C#N)C3=CC=C(C=C3)Cl)SC

InChI

InChI=1S/C23H24ClN3O8S/c1-11(28)33-17-10-32-22(20(35-13(3)30)19(17)34-12(2)29)27-21(31)16(9-25)18(26-23(27)36-4)14-5-7-15(24)8-6-14/h5-8,17,19-20,22-23,26H,10H2,1-4H3