ethyl 3-(4-fluorophenyl)-5-[(2-methyl-3-nitro-phenyl)carbonylamino]-4-oxidanylidene-thieno[3,4-d]pyridazine-1-carboxylate

Systemtic Name: ethyl 3-(4-fluorophenyl)-5-[(2-methyl-3-nitro-phenyl)carbonylamino]-4-oxidanylidene-thieno[3,4-d]pyridazine-1-carboxylate Openeye Name: ethyl 3-(4-fluorophenyl)-5-[(2-methyl-3-nitro-benzoyl)amino]-4-oxo-thieno[3,4-d]pyridazine-1-carboxylate CAS Name: 3-(4-fluorophenyl)-5-[[(2-methyl-3-nitrophenyl)-oxomethyl]amino]-4-oxo-1-thieno[3,4-d]pyridazinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-(4-fluorophenyl)-5-[(2-methyl-3-nitrobenzoyl)amino]-4-oxothieno[3,4-d]pyridazine-1-carboxylate Traditional Name: 3-(4-fluorophenyl)-4-keto-5-[(2-methyl-3-nitro-benzoyl)amino]thieno[3,4-d]pyridazine-1-carboxylic acid ethyl ester Formula: C23H17FN4O6S MolecularWeight: 496.467683

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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=C3)[N+](=O)[O-])C)C4=CC=C(C=C4)F

Isomeric SMILES

CCOC(=O)C1=NN(C(=O)C2=C(SC=C21)NC(=O)C3=C(C(=CC=C3)[N+](=O)[O-])C)C4=CC=C(C=C4)F

InChI

InChI=1S/C23H17FN4O6S/c1-3-34-23(31)19-16-11-35-21(25-20(29)15-5-4-6-17(12(15)2)28(32)33)18(16)22(30)27(26-19)14-9-7-13(24)8-10-14/h4-11H,3H2,1-2H3,(H,25,29)