[4,5-diacetyloxy-6-[5-cyano-2-ethylsulfanyl-4-(4-methoxyphenyl)-6-oxidanylidene-pyrimidin-1-yl]oxan-3-yl] ethanoate

Systemtic Name: [4,5-diacetyloxy-6-[5-cyano-2-ethylsulfanyl-4-(4-methoxyphenyl)-6-oxidanylidene-pyrimidin-1-yl]oxan-3-yl] ethanoate Openeye Name: [4,5-diacetoxy-6-[5-cyano-2-ethylsulfanyl-4-(4-methoxyphenyl)-6-oxo-pyrimidin-1-yl]tetrahydropyran-3-yl] acetate CAS Name: acetic acid [4,5-diacetyloxy-6-[5-cyano-2-(ethylthio)-4-(4-methoxyphenyl)-6-oxo-1-pyrimidinyl]-3-oxanyl] ester IUPAC Name: [4,5-diacetyloxy-6-[5-cyano-2-ethylsulfanyl-4-(4-methoxyphenyl)-6-oxopyrimidin-1-yl]oxan-3-yl] acetate Traditional Name: acetic acid [4,5-diacetoxy-6-[5-cyano-2-(ethylthio)-6-keto-4-(4-methoxyphenyl)pyrimidin-1-yl]tetrahydropyran-3-yl] ester Formula: C25H27N3O9S MolecularWeight: 545.56158

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC(=C(C(=O)N1C2C(C(C(CO2)OC(=O)C)OC(=O)C)OC(=O)C)C#N)C3=CC=C(C=C3)OC

Isomeric SMILES

CCSC1=NC(=C(C(=O)N1C2C(C(C(CO2)OC(=O)C)OC(=O)C)OC(=O)C)C#N)C3=CC=C(C=C3)OC

InChI

InChI=1S/C25H27N3O9S/c1-6-38-25-27-20(16-7-9-17(33-5)10-8-16)18(11-26)23(32)28(25)24-22(37-15(4)31)21(36-14(3)30)19(12-34-24)35-13(2)29/h7-10,19,21-22,24H,6,12H2,1-5H3