ethyl 5-benzamido-4-oxidanylidene-3-[4-(trifluoromethyl)phenyl]thieno[3,4-d]pyridazine-1-carboxylate

Systemtic Name: ethyl 5-benzamido-4-oxidanylidene-3-[4-(trifluoromethyl)phenyl]thieno[3,4-d]pyridazine-1-carboxylate Openeye Name: ethyl 5-benzamido-4-oxo-3-[4-(trifluoromethyl)phenyl]thieno[3,4-d]pyridazine-1-carboxylate CAS Name: 5-benzamido-4-oxo-3-[4-(trifluoromethyl)phenyl]-1-thieno[3,4-d]pyridazinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-benzamido-4-oxo-3-[4-(trifluoromethyl)phenyl]thieno[3,4-d]pyridazine-1-carboxylate Traditional Name: 5-benzamido-4-keto-3-[4-(trifluoromethyl)phenyl]thieno[3,4-d]pyridazine-1-carboxylic acid ethyl ester Formula: C23H16F3N3O4S MolecularWeight: 487.45105

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(=O)C2=C(SC=C21)NC(=O)C3=CC=CC=C3)C4=CC=C(C=C4)C(F)(F)F

Isomeric SMILES

CCOC(=O)C1=NN(C(=O)C2=C(SC=C21)NC(=O)C3=CC=CC=C3)C4=CC=C(C=C4)C(F)(F)F

InChI

InChI=1S/C23H16F3N3O4S/c1-2-33-22(32)18-16-12-34-20(27-19(30)13-6-4-3-5-7-13)17(16)21(31)29(28-18)15-10-8-14(9-11-15)23(24,25)26/h3-12H,2H2,1H3,(H,27,30)