ethyl 6-[(2-chloranyl-5-methylsulfanyl-phenyl)carbonyloxymethyl]-4-(4-methoxyphenyl)-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 6-[(2-chloranyl-5-methylsulfanyl-phenyl)carbonyloxymethyl]-4-(4-methoxyphenyl)-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 6-[(2-chloro-5-methylsulfanyl-benzoyl)oxymethyl]-4-(4-methoxyphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 6-[[[2-chloro-5-(methylthio)phenyl]-oxomethoxy]methyl]-4-(4-methoxyphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-[(2-chloro-5-methylsulfanylbenzoyl)oxymethyl]-4-(4-methoxyphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 6-[[2-chloro-5-(methylthio)benzoyl]oxymethyl]-2-keto-4-(4-methoxyphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C23H23ClN2O6S MolecularWeight: 490.95652

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1C2=CC=C(C=C2)OC)COC(=O)C3=C(C=CC(=C3)SC)Cl

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)NC1C2=CC=C(C=C2)OC)COC(=O)C3=C(C=CC(=C3)SC)Cl

InChI

InChI=1S/C23H23ClN2O6S/c1-4-31-22(28)19-18(12-32-21(27)16-11-15(33-3)9-10-17(16)24)25-23(29)26-20(19)13-5-7-14(30-2)8-6-13/h5-11,20H,4,12H2,1-3H3,(H2,25,26,29)