ethyl 4-(4-acetyloxy-3-methoxy-phenyl)-2-ethanoylsulfanyl-6-methyl-1,4-dihydropyrimidine-5-carboxylate

Systemtic Name: ethyl 4-(4-acetyloxy-3-methoxy-phenyl)-2-ethanoylsulfanyl-6-methyl-1,4-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 4-(4-acetoxy-3-methoxy-phenyl)-2-acetylsulfanyl-6-methyl-1,4-dihydropyrimidine-5-carboxylate CAS Name: 4-(4-acetyloxy-3-methoxyphenyl)-2-(acetylthio)-6-methyl-1,4-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-acetyloxy-3-methoxyphenyl)-2-acetylsulfanyl-6-methyl-1,4-dihydropyrimidine-5-carboxylate Traditional Name: 4-(4-acetoxy-3-methoxy-phenyl)-2-(acetylthio)-6-methyl-1,4-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C19H22N2O6S MolecularWeight: 406.45278

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=NC1C2=CC(=C(C=C2)OC(=O)C)OC)SC(=O)C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=NC1C2=CC(=C(C=C2)OC(=O)C)OC)SC(=O)C)C

InChI

InChI=1S/C19H22N2O6S/c1-6-26-18(24)16-10(2)20-19(28-12(4)23)21-17(16)13-7-8-14(27-11(3)22)15(9-13)25-5/h7-9,17H,6H2,1-5H3,(H,20,21)