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

Systemtic Name: ethyl 6-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonyloxymethyl)-2-oxidanylidene-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 6-(2,3-dihydro-1,4-benzodioxine-6-carbonyloxymethyl)-2-oxo-4-(2-thienyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 6-[[2,3-dihydro-1,4-benzodioxin-6-yl(oxo)methoxy]methyl]-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-(2,3-dihydro-1,4-benzodioxine-6-carbonyloxymethyl)-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 6-(2,3-dihydro-1,4-benzodioxin-6-carbonyloxymethyl)-2-keto-4-(2-thienyl)-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C21H20N2O7S MolecularWeight: 444.4577

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1C2=CC=CS2)COC(=O)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)NC1C2=CC=CS2)COC(=O)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C21H20N2O7S/c1-2-27-20(25)17-13(22-21(26)23-18(17)16-4-3-9-31-16)11-30-19(24)12-5-6-14-15(10-12)29-8-7-28-14/h3-6,9-10,18H,2,7-8,11H2,1H3,(H2,22,23,26)