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

Systemtic Name: ethyl 2-oxidanylidene-6-[(2-phenyl-5-thiophen-2-yl-pyrazol-3-yl)carbonyloxymethyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 2-oxo-6-[[2-phenyl-5-(2-thienyl)pyrazole-3-carbonyl]oxymethyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 2-oxo-6-[[oxo-(2-phenyl-5-thiophen-2-yl-3-pyrazolyl)methoxy]methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 2-oxo-6-[(2-phenyl-5-thiophen-2-ylpyrazole-3-carbonyl)oxymethyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 2-keto-6-[[2-phenyl-5-(2-thienyl)pyrazole-3-carbonyl]oxymethyl]-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C22H20N4O5S MolecularWeight: 452.483

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1)COC(=O)C2=CC(=NN2C3=CC=CC=C3)C4=CC=CS4

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)NC1)COC(=O)C2=CC(=NN2C3=CC=CC=C3)C4=CC=CS4

InChI

InChI=1S/C22H20N4O5S/c1-2-30-20(27)15-12-23-22(29)24-17(15)13-31-21(28)18-11-16(19-9-6-10-32-19)25-26(18)14-7-4-3-5-8-14/h3-11H,2,12-13H2,1H3,(H2,23,24,29)