ethyl 1-ethyl-5-(isoquinolin-4-ylamino)-6-oxidanylidene-3-thiophen-2-yl-pyridazine-4-carboxylate

Systemtic Name: ethyl 1-ethyl-5-(isoquinolin-4-ylamino)-6-oxidanylidene-3-thiophen-2-yl-pyridazine-4-carboxylate Openeye Name: ethyl 1-ethyl-5-(4-isoquinolylamino)-6-oxo-3-(2-thienyl)pyridazine-4-carboxylate CAS Name: 1-ethyl-5-(4-isoquinolinylamino)-6-oxo-3-thiophen-2-yl-4-pyridazinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-ethyl-5-(isoquinolin-4-ylamino)-6-oxo-3-thiophen-2-ylpyridazine-4-carboxylate Traditional Name: 1-ethyl-5-(4-isoquinolylamino)-6-keto-3-(2-thienyl)pyridazine-4-carboxylic acid ethyl ester Formula: C22H20N4O3S MolecularWeight: 420.4842

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C(=C(C(=N1)C2=CC=CS2)C(=O)OCC)NC3=CN=CC4=CC=CC=C43

Isomeric SMILES

CCN1C(=O)C(=C(C(=N1)C2=CC=CS2)C(=O)OCC)NC3=CN=CC4=CC=CC=C43

InChI

InChI=1S/C22H20N4O3S/c1-3-26-21(27)20(24-16-13-23-12-14-8-5-6-9-15(14)16)18(22(28)29-4-2)19(25-26)17-10-7-11-30-17/h5-13,24H,3-4H2,1-2H3