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

Systemtic Name: ethyl 4-(4-ethoxy-3-methoxy-phenyl)-6-[(4-fluorophenyl)sulfonylmethyl]-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 4-(4-ethoxy-3-methoxy-phenyl)-6-[(4-fluorophenyl)sulfonylmethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-(4-ethoxy-3-methoxyphenyl)-6-[(4-fluorophenyl)sulfonylmethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-ethoxy-3-methoxyphenyl)-6-[(4-fluorophenyl)sulfonylmethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 4-(4-ethoxy-3-methoxy-phenyl)-6-[(4-fluorophenyl)sulfonylmethyl]-2-keto-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C23H25FN2O7S MolecularWeight: 492.517203

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C2C(=C(NC(=O)N2)CS(=O)(=O)C3=CC=C(C=C3)F)C(=O)OCC)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C2C(=C(NC(=O)N2)CS(=O)(=O)C3=CC=C(C=C3)F)C(=O)OCC)OC

InChI

InChI=1S/C23H25FN2O7S/c1-4-32-18-11-6-14(12-19(18)31-3)21-20(22(27)33-5-2)17(25-23(28)26-21)13-34(29,30)16-9-7-15(24)8-10-16/h6-12,21H,4-5,13H2,1-3H3,(H2,25,26,28)