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

Systemtic Name: ethyl 5-[(3-methoxyphenyl)carbonylamino]-4-oxidanylidene-3-[4-(trifluoromethyl)phenyl]thieno[3,4-d]pyridazine-1-carboxylate Openeye Name: ethyl 5-[(3-methoxybenzoyl)amino]-4-oxo-3-[4-(trifluoromethyl)phenyl]thieno[3,4-d]pyridazine-1-carboxylate CAS Name: 5-[[(3-methoxyphenyl)-oxomethyl]amino]-4-oxo-3-[4-(trifluoromethyl)phenyl]-1-thieno[3,4-d]pyridazinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[(3-methoxybenzoyl)amino]-4-oxo-3-[4-(trifluoromethyl)phenyl]thieno[3,4-d]pyridazine-1-carboxylate Traditional Name: 4-keto-5-(m-anisoylamino)-3-[4-(trifluoromethyl)phenyl]thieno[3,4-d]pyridazine-1-carboxylic acid ethyl ester Formula: C24H18F3N3O5S MolecularWeight: 517.47703

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C24H18F3N3O5S/c1-3-35-23(33)19-17-12-36-21(28-20(31)13-5-4-6-16(11-13)34-2)18(17)22(32)30(29-19)15-9-7-14(8-10-15)24(25,26)27/h4-12H,3H2,1-2H3,(H,28,31)