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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1)COC(=O)C2=CN(N=C2C3=CC=CS3)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)NC1)COC(=O)C2=CN(N=C2C3=CC=CS3)C4=CC=CC=C4

InChI

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