ethyl 4-(2-methylphenyl)-2-oxidanylidene-6-(phenylsulfonylmethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-(2-methylphenyl)-2-oxidanylidene-6-(phenylsulfonylmethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 6-(benzenesulfonylmethyl)-4-(o-tolyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 6-(benzenesulfonylmethyl)-4-(2-methylphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-(benzenesulfonylmethyl)-4-(2-methylphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 6-(besylmethyl)-2-keto-4-(o-tolyl)-3,4-dihydro-1H-pyrimidine-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)NC1C2=CC=CC=C2C)CS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)NC1C2=CC=CC=C2C)CS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H22N2O5S/c1-3-28-20(24)18-17(13-29(26,27)15-10-5-4-6-11-15)22-21(25)23-19(18)16-12-8-7-9-14(16)2/h4-12,19H,3,13H2,1-2H3,(H2,22,23,25)