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

Systemtic Name: ethyl 6-[(4-ethoxyphenyl)carbonyloxymethyl]-2-oxidanylidene-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 6-[(4-ethoxybenzoyl)oxymethyl]-2-oxo-4-(2-thienyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 6-[[(4-ethoxyphenyl)-oxomethoxy]methyl]-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-[(4-ethoxybenzoyl)oxymethyl]-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 6-[(4-ethoxybenzoyl)oxymethyl]-2-keto-4-(2-thienyl)-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C21H22N2O6S MolecularWeight: 430.47418

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)OCC2=C(C(NC(=O)N2)C3=CC=CS3)C(=O)OCC

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)OCC2=C(C(NC(=O)N2)C3=CC=CS3)C(=O)OCC

InChI

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