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

Systemtic Name: ethyl 3-(3-fluorophenyl)-5-(3-methylbutanoylamino)-4-oxidanylidene-thieno[3,4-d]pyridazine-1-carboxylate Openeye Name: ethyl 3-(3-fluorophenyl)-5-(3-methylbutanoylamino)-4-oxo-thieno[3,4-d]pyridazine-1-carboxylate CAS Name: 3-(3-fluorophenyl)-5-[(3-methyl-1-oxobutyl)amino]-4-oxo-1-thieno[3,4-d]pyridazinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-(3-fluorophenyl)-5-(3-methylbutanoylamino)-4-oxothieno[3,4-d]pyridazine-1-carboxylate Traditional Name: 3-(3-fluorophenyl)-5-(isovalerylamino)-4-keto-thieno[3,4-d]pyridazine-1-carboxylic acid ethyl ester Formula: C20H20FN3O4S MolecularWeight: 417.453903

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20FN3O4S/c1-4-28-20(27)17-14-10-29-18(22-15(25)8-11(2)3)16(14)19(26)24(23-17)13-7-5-6-12(21)9-13/h5-7,9-11H,4,8H2,1-3H3,(H,22,25)