ethyl 6-[[4-(4-fluorophenyl)-4-oxidanylidene-butanoyl]oxymethyl]-2-oxidanylidene-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 6-[[4-(4-fluorophenyl)-4-oxidanylidene-butanoyl]oxymethyl]-2-oxidanylidene-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 6-[[4-(4-fluorophenyl)-4-oxo-butanoyl]oxymethyl]-2-oxo-4-(2-thienyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 6-[[4-(4-fluorophenyl)-1,4-dioxobutoxy]methyl]-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-[[4-(4-fluorophenyl)-4-oxobutanoyl]oxymethyl]-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 6-[[4-(4-fluorophenyl)-4-keto-butanoyl]oxymethyl]-2-keto-4-(2-thienyl)-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C22H21FN2O6S MolecularWeight: 460.475343

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1C2=CC=CS2)COC(=O)CCC(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)NC1C2=CC=CS2)COC(=O)CCC(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C22H21FN2O6S/c1-2-30-21(28)19-15(24-22(29)25-20(19)17-4-3-11-32-17)12-31-18(27)10-9-16(26)13-5-7-14(23)8-6-13/h3-8,11,20H,2,9-10,12H2,1H3,(H2,24,25,29)