ethyl 5-(1,3-benzodioxol-5-yl)-3-[(6-oxidanylidene-1-propyl-pyridazin-3-yl)carbonylamino]thiophene-2-carboxylate

Systemtic Name: ethyl 5-(1,3-benzodioxol-5-yl)-3-[(6-oxidanylidene-1-propyl-pyridazin-3-yl)carbonylamino]thiophene-2-carboxylate Openeye Name: ethyl 5-(1,3-benzodioxol-5-yl)-3-[(6-oxo-1-propyl-pyridazine-3-carbonyl)amino]thiophene-2-carboxylate CAS Name: 5-(1,3-benzodioxol-5-yl)-3-[[oxo-(6-oxo-1-propyl-3-pyridazinyl)methyl]amino]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(1,3-benzodioxol-5-yl)-3-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]thiophene-2-carboxylate Traditional Name: 5-(1,3-benzodioxol-5-yl)-3-[(6-keto-1-propyl-pyridazine-3-carbonyl)amino]thiophene-2-carboxylic acid ethyl ester Formula: C22H21N3O6S MolecularWeight: 455.48364

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C=CC(=N1)C(=O)NC2=C(SC(=C2)C3=CC4=C(C=C3)OCO4)C(=O)OCC

Isomeric SMILES

CCCN1C(=O)C=CC(=N1)C(=O)NC2=C(SC(=C2)C3=CC4=C(C=C3)OCO4)C(=O)OCC

InChI

InChI=1S/C22H21N3O6S/c1-3-9-25-19(26)8-6-14(24-25)21(27)23-15-11-18(32-20(15)22(28)29-4-2)13-5-7-16-17(10-13)31-12-30-16/h5-8,10-11H,3-4,9,12H2,1-2H3,(H,23,27)