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

Systemtic Name: ethyl 5-(cyclohexylcarbonylamino)-3-(4-fluorophenyl)-4-oxidanylidene-thieno[3,4-d]pyridazine-1-carboxylate Openeye Name: ethyl 5-(cyclohexanecarbonylamino)-3-(4-fluorophenyl)-4-oxo-thieno[3,4-d]pyridazine-1-carboxylate CAS Name: 5-[[cyclohexyl(oxo)methyl]amino]-3-(4-fluorophenyl)-4-oxo-1-thieno[3,4-d]pyridazinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(cyclohexanecarbonylamino)-3-(4-fluorophenyl)-4-oxothieno[3,4-d]pyridazine-1-carboxylate Traditional Name: 5-(cyclohexanecarbonylamino)-3-(4-fluorophenyl)-4-keto-thieno[3,4-d]pyridazine-1-carboxylic acid ethyl ester Formula: C22H22FN3O4S MolecularWeight: 443.491183

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(=O)C2=C(SC=C21)NC(=O)C3CCCCC3)C4=CC=C(C=C4)F

Isomeric SMILES

CCOC(=O)C1=NN(C(=O)C2=C(SC=C21)NC(=O)C3CCCCC3)C4=CC=C(C=C4)F

InChI

InChI=1S/C22H22FN3O4S/c1-2-30-22(29)18-16-12-31-20(24-19(27)13-6-4-3-5-7-13)17(16)21(28)26(25-18)15-10-8-14(23)9-11-15/h8-13H,2-7H2,1H3,(H,24,27)