ethyl 3-(3-fluorophenyl)-5-(2-methylpropanoylamino)-4-oxidanylidene-thieno[3,4-d]pyridazine-1-carboxylate

Systemtic Name: ethyl 3-(3-fluorophenyl)-5-(2-methylpropanoylamino)-4-oxidanylidene-thieno[3,4-d]pyridazine-1-carboxylate Openeye Name: ethyl 3-(3-fluorophenyl)-5-(2-methylpropanoylamino)-4-oxo-thieno[3,4-d]pyridazine-1-carboxylate CAS Name: 3-(3-fluorophenyl)-5-[(2-methyl-1-oxopropyl)amino]-4-oxo-1-thieno[3,4-d]pyridazinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-(3-fluorophenyl)-5-(2-methylpropanoylamino)-4-oxothieno[3,4-d]pyridazine-1-carboxylate Traditional Name: 3-(3-fluorophenyl)-5-(isobutyrylamino)-4-keto-thieno[3,4-d]pyridazine-1-carboxylic acid ethyl ester Formula: C19H18FN3O4S MolecularWeight: 403.427323

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18FN3O4S/c1-4-27-19(26)15-13-9-28-17(21-16(24)10(2)3)14(13)18(25)23(22-15)12-7-5-6-11(20)8-12/h5-10H,4H2,1-3H3,(H,21,24)