ethyl 4-(3-methoxy-4-oxidanyl-phenyl)-6-[(4-methylphenyl)sulfonylmethyl]-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-(3-methoxy-4-oxidanyl-phenyl)-6-[(4-methylphenyl)sulfonylmethyl]-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 4-(4-hydroxy-3-methoxy-phenyl)-2-oxo-6-(p-tolylsulfonylmethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-(4-hydroxy-3-methoxyphenyl)-6-[(4-methylphenyl)sulfonylmethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-hydroxy-3-methoxyphenyl)-6-[(4-methylphenyl)sulfonylmethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 4-(4-hydroxy-3-methoxy-phenyl)-2-keto-6-(tosylmethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C22H24N2O7S MolecularWeight: 460.50016

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1C2=CC(=C(C=C2)O)OC)CS(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)NC1C2=CC(=C(C=C2)O)OC)CS(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C22H24N2O7S/c1-4-31-21(26)19-16(12-32(28,29)15-8-5-13(2)6-9-15)23-22(27)24-20(19)14-7-10-17(25)18(11-14)30-3/h5-11,20,25H,4,12H2,1-3H3,(H2,23,24,27)