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

Systemtic Name: ethyl 2-oxidanylidene-6-[(1-phenylpyrazol-4-yl)carbonyloxymethyl]-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 2-oxo-6-[(1-phenylpyrazole-4-carbonyl)oxymethyl]-4-(2-thienyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 2-oxo-6-[[oxo-(1-phenyl-4-pyrazolyl)methoxy]methyl]-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 2-oxo-6-[(1-phenylpyrazole-4-carbonyl)oxymethyl]-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 2-keto-6-[(1-phenylpyrazole-4-carbonyl)oxymethyl]-4-(2-thienyl)-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)NC1C2=CC=CS2)COC(=O)C3=CN(N=C3)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)NC1C2=CC=CS2)COC(=O)C3=CN(N=C3)C4=CC=CC=C4

InChI

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