ethyl 6-(1-benzofuran-2-ylcarbonyloxymethyl)-2-oxidanylidene-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 6-(1-benzofuran-2-ylcarbonyloxymethyl)-2-oxidanylidene-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 6-(benzofuran-2-carbonyloxymethyl)-2-oxo-4-(2-thienyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 6-[[2-benzofuranyl(oxo)methoxy]methyl]-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-(1-benzofuran-2-carbonyloxymethyl)-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 6-(benzofuran-2-carbonyloxymethyl)-2-keto-4-(2-thienyl)-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C21H18N2O6S MolecularWeight: 426.44242

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1C2=CC=CS2)COC(=O)C3=CC4=CC=CC=C4O3

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)NC1C2=CC=CS2)COC(=O)C3=CC4=CC=CC=C4O3

InChI

InChI=1S/C21H18N2O6S/c1-2-27-20(25)17-13(22-21(26)23-18(17)16-8-5-9-30-16)11-28-19(24)15-10-12-6-3-4-7-14(12)29-15/h3-10,18H,2,11H2,1H3,(H2,22,23,26)