ethyl 3-(4-fluorophenyl)-4-oxidanylidene-5-(2-propylpentanoylamino)thieno[3,4-d]pyridazine-1-carboxylate

Systemtic Name: ethyl 3-(4-fluorophenyl)-4-oxidanylidene-5-(2-propylpentanoylamino)thieno[3,4-d]pyridazine-1-carboxylate Openeye Name: ethyl 3-(4-fluorophenyl)-4-oxo-5-(2-propylpentanoylamino)thieno[3,4-d]pyridazine-1-carboxylate CAS Name: 3-(4-fluorophenyl)-4-oxo-5-[(1-oxo-2-propylpentyl)amino]-1-thieno[3,4-d]pyridazinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-(4-fluorophenyl)-4-oxo-5-(2-propylpentanoylamino)thieno[3,4-d]pyridazine-1-carboxylate Traditional Name: 3-(4-fluorophenyl)-4-keto-5-(2-propylpentanoylamino)thieno[3,4-d]pyridazine-1-carboxylic acid ethyl ester Formula: C23H26FN3O4S MolecularWeight: 459.533643

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCC)C(=O)NC1=C2C(=CS1)C(=NN(C2=O)C3=CC=C(C=C3)F)C(=O)OCC

Isomeric SMILES

CCCC(CCC)C(=O)NC1=C2C(=CS1)C(=NN(C2=O)C3=CC=C(C=C3)F)C(=O)OCC

InChI

InChI=1S/C23H26FN3O4S/c1-4-7-14(8-5-2)20(28)25-21-18-17(13-32-21)19(23(30)31-6-3)26-27(22(18)29)16-11-9-15(24)10-12-16/h9-14H,4-8H2,1-3H3,(H,25,28)