ethyl 2-oxidanylidene-4-thiophen-2-yl-6-[[4-(trifluoromethyl)phenyl]carbonyloxymethyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 2-oxidanylidene-4-thiophen-2-yl-6-[[4-(trifluoromethyl)phenyl]carbonyloxymethyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 2-oxo-4-(2-thienyl)-6-[[4-(trifluoromethyl)benzoyl]oxymethyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 2-oxo-6-[[oxo-[4-(trifluoromethyl)phenyl]methoxy]methyl]-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 2-oxo-4-thiophen-2-yl-6-[[4-(trifluoromethyl)benzoyl]oxymethyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 2-keto-4-(2-thienyl)-6-[[4-(trifluoromethyl)benzoyl]oxymethyl]-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C20H17F3N2O5S MolecularWeight: 454.41959

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17F3N2O5S/c1-2-29-18(27)15-13(24-19(28)25-16(15)14-4-3-9-31-14)10-30-17(26)11-5-7-12(8-6-11)20(21,22)23/h3-9,16H,2,10H2,1H3,(H2,24,25,28)