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

Systemtic Name: ethyl 4-(3-methoxy-4-oxidanyl-phenyl)-2-oxidanylidene-6-(phenylsulfonylmethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 6-(benzenesulfonylmethyl)-4-(4-hydroxy-3-methoxy-phenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 6-(benzenesulfonylmethyl)-4-(4-hydroxy-3-methoxyphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-(benzenesulfonylmethyl)-4-(4-hydroxy-3-methoxyphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 6-(besylmethyl)-4-(4-hydroxy-3-methoxy-phenyl)-2-keto-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C21H22N2O7S MolecularWeight: 446.47358

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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=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O7S/c1-3-30-20(25)18-15(12-31(27,28)14-7-5-4-6-8-14)22-21(26)23-19(18)13-9-10-16(24)17(11-13)29-2/h4-11,19,24H,3,12H2,1-2H3,(H2,22,23,26)