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

Systemtic Name: ethyl 5-[(4-butoxyphenyl)carbonylamino]-4-oxidanylidene-3-[4-(trifluoromethyl)phenyl]thieno[3,4-d]pyridazine-1-carboxylate Openeye Name: ethyl 5-[(4-butoxybenzoyl)amino]-4-oxo-3-[4-(trifluoromethyl)phenyl]thieno[3,4-d]pyridazine-1-carboxylate CAS Name: 5-[[(4-butoxyphenyl)-oxomethyl]amino]-4-oxo-3-[4-(trifluoromethyl)phenyl]-1-thieno[3,4-d]pyridazinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[(4-butoxybenzoyl)amino]-4-oxo-3-[4-(trifluoromethyl)phenyl]thieno[3,4-d]pyridazine-1-carboxylate Traditional Name: 5-[(4-butoxybenzoyl)amino]-4-keto-3-[4-(trifluoromethyl)phenyl]thieno[3,4-d]pyridazine-1-carboxylic acid ethyl ester Formula: C27H24F3N3O5S MolecularWeight: 559.55677

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)NC2=C3C(=CS2)C(=NN(C3=O)C4=CC=C(C=C4)C(F)(F)F)C(=O)OCC

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)NC2=C3C(=CS2)C(=NN(C3=O)C4=CC=C(C=C4)C(F)(F)F)C(=O)OCC

InChI

InChI=1S/C27H24F3N3O5S/c1-3-5-14-38-19-12-6-16(7-13-19)23(34)31-24-21-20(15-39-24)22(26(36)37-4-2)32-33(25(21)35)18-10-8-17(9-11-18)27(28,29)30/h6-13,15H,3-5,14H2,1-2H3,(H,31,34)