ethyl 4-(furan-2-yl)-2-oxidanylidene-6-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylcarbonyloxymethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-(furan-2-yl)-2-oxidanylidene-6-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylcarbonyloxymethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 4-(2-furyl)-2-oxo-6-(4,5,6,7-tetrahydrobenzothiophene-3-carbonyloxymethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-(2-furanyl)-2-oxo-6-[[oxo(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methoxy]methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(furan-2-yl)-2-oxo-6-(4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyloxymethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 4-(2-furyl)-2-keto-6-(4,5,6,7-tetrahydrobenzothiophene-3-carbonyloxymethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C21H22N2O6S MolecularWeight: 430.47418

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1C2=CC=CO2)COC(=O)C3=CSC4=C3CCCC4

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)NC1C2=CC=CO2)COC(=O)C3=CSC4=C3CCCC4

InChI

InChI=1S/C21H22N2O6S/c1-2-27-20(25)17-14(22-21(26)23-18(17)15-7-5-9-28-15)10-29-19(24)13-11-30-16-8-4-3-6-12(13)16/h5,7,9,11,18H,2-4,6,8,10H2,1H3,(H2,22,23,26)