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

Systemtic Name: ethyl 3-(3-fluorophenyl)-4-oxidanylidene-5-(pentanoylamino)thieno[3,4-d]pyridazine-1-carboxylate Openeye Name: ethyl 3-(3-fluorophenyl)-4-oxo-5-(pentanoylamino)thieno[3,4-d]pyridazine-1-carboxylate CAS Name: 3-(3-fluorophenyl)-4-oxo-5-(1-oxopentylamino)-1-thieno[3,4-d]pyridazinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-(3-fluorophenyl)-4-oxo-5-(pentanoylamino)thieno[3,4-d]pyridazine-1-carboxylate Traditional Name: 3-(3-fluorophenyl)-4-keto-5-(valerylamino)thieno[3,4-d]pyridazine-1-carboxylic acid ethyl ester Formula: C20H20FN3O4S MolecularWeight: 417.453903

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20FN3O4S/c1-3-5-9-15(25)22-18-16-14(11-29-18)17(20(27)28-4-2)23-24(19(16)26)13-8-6-7-12(21)10-13/h6-8,10-11H,3-5,9H2,1-2H3,(H,22,25)