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

Systemtic Name: ethyl 5-(3-cyclopentylpropanoylamino)-3-(4-fluorophenyl)-4-oxidanylidene-thieno[3,4-d]pyridazine-1-carboxylate Openeye Name: ethyl 5-(3-cyclopentylpropanoylamino)-3-(4-fluorophenyl)-4-oxo-thieno[3,4-d]pyridazine-1-carboxylate CAS Name: 5-[(3-cyclopentyl-1-oxopropyl)amino]-3-(4-fluorophenyl)-4-oxo-1-thieno[3,4-d]pyridazinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(3-cyclopentylpropanoylamino)-3-(4-fluorophenyl)-4-oxothieno[3,4-d]pyridazine-1-carboxylate Traditional Name: 5-(3-cyclopentylpropanoylamino)-3-(4-fluorophenyl)-4-keto-thieno[3,4-d]pyridazine-1-carboxylic acid ethyl ester Formula: C23H24FN3O4S MolecularWeight: 457.517763

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(=O)C2=C(SC=C21)NC(=O)CCC3CCCC3)C4=CC=C(C=C4)F

Isomeric SMILES

CCOC(=O)C1=NN(C(=O)C2=C(SC=C21)NC(=O)CCC3CCCC3)C4=CC=C(C=C4)F

InChI

InChI=1S/C23H24FN3O4S/c1-2-31-23(30)20-17-13-32-21(25-18(28)12-7-14-5-3-4-6-14)19(17)22(29)27(26-20)16-10-8-15(24)9-11-16/h8-11,13-14H,2-7,12H2,1H3,(H,25,28)