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

Systemtic Name: ethyl 5-[(6-oxidanylidene-1-propyl-pyridazin-3-yl)carbonylamino]-1-benzothiophene-2-carboxylate Openeye Name: ethyl 5-[(6-oxo-1-propyl-pyridazine-3-carbonyl)amino]benzothiophene-2-carboxylate CAS Name: 5-[[oxo-(6-oxo-1-propyl-3-pyridazinyl)methyl]amino]-1-benzothiophene-2-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]-1-benzothiophene-2-carboxylate Traditional Name: 5-[(6-keto-1-propyl-pyridazine-3-carbonyl)amino]benzothiophene-2-carboxylic acid ethyl ester Formula: C19H19N3O4S MolecularWeight: 385.43686

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C=CC(=N1)C(=O)NC2=CC3=C(C=C2)SC(=C3)C(=O)OCC

Isomeric SMILES

CCCN1C(=O)C=CC(=N1)C(=O)NC2=CC3=C(C=C2)SC(=C3)C(=O)OCC

InChI

InChI=1S/C19H19N3O4S/c1-3-9-22-17(23)8-6-14(21-22)18(24)20-13-5-7-15-12(10-13)11-16(27-15)19(25)26-4-2/h5-8,10-11H,3-4,9H2,1-2H3,(H,20,24)