diethyl 5-[[3-(1,3-benzodioxol-5-yl)-1H-pyrazol-5-yl]carbonylamino]-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 5-[[3-(1,3-benzodioxol-5-yl)-1H-pyrazol-5-yl]carbonylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-[[3-(1,3-benzodioxol-5-yl)-1H-pyrazole-5-carbonyl]amino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[[3-(1,3-benzodioxol-5-yl)-1H-pyrazol-5-yl]-oxomethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[[3-(1,3-benzodioxol-5-yl)-1H-pyrazole-5-carbonyl]amino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[[3-(1,3-benzodioxol-5-yl)-1H-pyrazole-5-carbonyl]amino]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C22H21N3O7S MolecularWeight: 471.48304

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)C2=CC(=NN2)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)C2=CC(=NN2)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H21N3O7S/c1-4-29-21(27)17-11(3)18(22(28)30-5-2)33-20(17)23-19(26)14-9-13(24-25-14)12-6-7-15-16(8-12)32-10-31-15/h6-9H,4-5,10H2,1-3H3,(H,23,26)(H,24,25)