ethyl 5-[(5-bromanylfuran-2-yl)carbonylamino]-4-oxidanylidene-3-phenyl-thieno[3,4-d]pyridazine-1-carboxylate

Systemtic Name: ethyl 5-[(5-bromanylfuran-2-yl)carbonylamino]-4-oxidanylidene-3-phenyl-thieno[3,4-d]pyridazine-1-carboxylate Openeye Name: ethyl 5-[(5-bromofuran-2-carbonyl)amino]-4-oxo-3-phenyl-thieno[3,4-d]pyridazine-1-carboxylate CAS Name: 5-[[(5-bromo-2-furanyl)-oxomethyl]amino]-4-oxo-3-phenyl-1-thieno[3,4-d]pyridazinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[(5-bromofuran-2-carbonyl)amino]-4-oxo-3-phenylthieno[3,4-d]pyridazine-1-carboxylate Traditional Name: 5-[(5-bromo-2-furoyl)amino]-4-keto-3-phenyl-thieno[3,4-d]pyridazine-1-carboxylic acid ethyl ester Formula: C20H14BrN3O5S MolecularWeight: 488.31126

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(=O)C2=C(SC=C21)NC(=O)C3=CC=C(O3)Br)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=NN(C(=O)C2=C(SC=C21)NC(=O)C3=CC=C(O3)Br)C4=CC=CC=C4

InChI

InChI=1S/C20H14BrN3O5S/c1-2-28-20(27)16-12-10-30-18(22-17(25)13-8-9-14(21)29-13)15(12)19(26)24(23-16)11-6-4-3-5-7-11/h3-10H,2H2,1H3,(H,22,25)