ethyl 5-[[2,6-bis(fluoranyl)phenyl]carbonylamino]-3-(4-methylphenyl)-4-oxidanylidene-thieno[3,4-d]pyridazine-1-carboxylate

Systemtic Name: ethyl 5-[[2,6-bis(fluoranyl)phenyl]carbonylamino]-3-(4-methylphenyl)-4-oxidanylidene-thieno[3,4-d]pyridazine-1-carboxylate Openeye Name: ethyl 5-[(2,6-difluorobenzoyl)amino]-4-oxo-3-(p-tolyl)thieno[3,4-d]pyridazine-1-carboxylate CAS Name: 5-[[(2,6-difluorophenyl)-oxomethyl]amino]-3-(4-methylphenyl)-4-oxo-1-thieno[3,4-d]pyridazinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[(2,6-difluorobenzoyl)amino]-3-(4-methylphenyl)-4-oxothieno[3,4-d]pyridazine-1-carboxylate Traditional Name: 5-[(2,6-difluorobenzoyl)amino]-4-keto-3-(p-tolyl)thieno[3,4-d]pyridazine-1-carboxylic acid ethyl ester Formula: C23H17F2N3O4S MolecularWeight: 469.460586

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(=O)C2=C(SC=C21)NC(=O)C3=C(C=CC=C3F)F)C4=CC=C(C=C4)C

Isomeric SMILES

CCOC(=O)C1=NN(C(=O)C2=C(SC=C21)NC(=O)C3=C(C=CC=C3F)F)C4=CC=C(C=C4)C

InChI

InChI=1S/C23H17F2N3O4S/c1-3-32-23(31)19-14-11-33-21(26-20(29)18-15(24)5-4-6-16(18)25)17(14)22(30)28(27-19)13-9-7-12(2)8-10-13/h4-11H,3H2,1-2H3,(H,26,29)