ethyl 4-(4-methoxyphenyl)-2-oxidanylidene-6-(2-thiophen-3-ylethanoyloxymethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-(4-methoxyphenyl)-2-oxidanylidene-6-(2-thiophen-3-ylethanoyloxymethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 4-(4-methoxyphenyl)-2-oxo-6-[[2-(3-thienyl)acetyl]oxymethyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-(4-methoxyphenyl)-2-oxo-6-[[1-oxo-2-(3-thiophenyl)ethoxy]methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-methoxyphenyl)-2-oxo-6-[(2-thiophen-3-ylacetyl)oxymethyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 2-keto-4-(4-methoxyphenyl)-6-[[2-(3-thienyl)acetyl]oxymethyl]-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=C(C=C2)OC)COC(=O)CC3=CSC=C3

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)NC1C2=CC=C(C=C2)OC)COC(=O)CC3=CSC=C3

InChI

InChI=1S/C21H22N2O6S/c1-3-28-20(25)18-16(11-29-17(24)10-13-8-9-30-12-13)22-21(26)23-19(18)14-4-6-15(27-2)7-5-14/h4-9,12,19H,3,10-11H2,1-2H3,(H2,22,23,26)