ethyl 6-methyl-3-(4-methylphenyl)sulfonyl-2-oxidanylidene-4-phenyl-1,4-dihydropyrimidine-5-carboxylate

Systemtic Name: ethyl 6-methyl-3-(4-methylphenyl)sulfonyl-2-oxidanylidene-4-phenyl-1,4-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 6-methyl-2-oxo-4-phenyl-3-(p-tolylsulfonyl)-1,4-dihydropyrimidine-5-carboxylate CAS Name: 6-methyl-3-(4-methylphenyl)sulfonyl-2-oxo-4-phenyl-1,4-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-methyl-3-(4-methylphenyl)sulfonyl-2-oxo-4-phenyl-1,4-dihydropyrimidine-5-carboxylate Traditional Name: 2-keto-6-methyl-4-phenyl-3-tosyl-1,4-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C21H22N2O5S MolecularWeight: 414.47478

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)N(C1C2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)N(C1C2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)C)C

InChI

InChI=1S/C21H22N2O5S/c1-4-28-20(24)18-15(3)22-21(25)23(19(18)16-8-6-5-7-9-16)29(26,27)17-12-10-14(2)11-13-17/h5-13,19H,4H2,1-3H3,(H,22,25)