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

Systemtic Name: ethyl 3-(2-fluorophenyl)-4-oxidanylidene-5-(pentanoylamino)thieno[3,4-d]pyridazine-1-carboxylate Openeye Name: ethyl 3-(2-fluorophenyl)-4-oxo-5-(pentanoylamino)thieno[3,4-d]pyridazine-1-carboxylate CAS Name: 3-(2-fluorophenyl)-4-oxo-5-(1-oxopentylamino)-1-thieno[3,4-d]pyridazinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-(2-fluorophenyl)-4-oxo-5-(pentanoylamino)thieno[3,4-d]pyridazine-1-carboxylate Traditional Name: 3-(2-fluorophenyl)-4-keto-5-(valerylamino)thieno[3,4-d]pyridazine-1-carboxylic acid ethyl ester Formula: C20H20FN3O4S MolecularWeight: 417.453903

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC1=C2C(=CS1)C(=NN(C2=O)C3=CC=CC=C3F)C(=O)OCC

Isomeric SMILES

CCCCC(=O)NC1=C2C(=CS1)C(=NN(C2=O)C3=CC=CC=C3F)C(=O)OCC

InChI

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