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

Systemtic Name: ethyl 5-acetamido-4-oxidanylidene-3-[4-(trifluoromethyl)phenyl]thieno[3,4-d]pyridazine-1-carboxylate Openeye Name: ethyl 5-acetamido-4-oxo-3-[4-(trifluoromethyl)phenyl]thieno[3,4-d]pyridazine-1-carboxylate CAS Name: 5-acetamido-4-oxo-3-[4-(trifluoromethyl)phenyl]-1-thieno[3,4-d]pyridazinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-acetamido-4-oxo-3-[4-(trifluoromethyl)phenyl]thieno[3,4-d]pyridazine-1-carboxylate Traditional Name: 5-acetamido-4-keto-3-[4-(trifluoromethyl)phenyl]thieno[3,4-d]pyridazine-1-carboxylic acid ethyl ester Formula: C18H14F3N3O4S MolecularWeight: 425.38167

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H14F3N3O4S/c1-3-28-17(27)14-12-8-29-15(22-9(2)25)13(12)16(26)24(23-14)11-6-4-10(5-7-11)18(19,20)21/h4-8H,3H2,1-2H3,(H,22,25)