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

Systemtic Name: ethyl 5-(2-ethylbutanoylamino)-3-(4-fluorophenyl)-4-oxidanylidene-thieno[3,4-d]pyridazine-1-carboxylate Openeye Name: ethyl 5-(2-ethylbutanoylamino)-3-(4-fluorophenyl)-4-oxo-thieno[3,4-d]pyridazine-1-carboxylate CAS Name: 5-[(2-ethyl-1-oxobutyl)amino]-3-(4-fluorophenyl)-4-oxo-1-thieno[3,4-d]pyridazinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(2-ethylbutanoylamino)-3-(4-fluorophenyl)-4-oxothieno[3,4-d]pyridazine-1-carboxylate Traditional Name: 5-(2-ethylbutanoylamino)-3-(4-fluorophenyl)-4-keto-thieno[3,4-d]pyridazine-1-carboxylic acid ethyl ester Formula: C21H22FN3O4S MolecularWeight: 431.480483

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C(=O)NC1=C2C(=CS1)C(=NN(C2=O)C3=CC=C(C=C3)F)C(=O)OCC

Isomeric SMILES

CCC(CC)C(=O)NC1=C2C(=CS1)C(=NN(C2=O)C3=CC=C(C=C3)F)C(=O)OCC

InChI

InChI=1S/C21H22FN3O4S/c1-4-12(5-2)18(26)23-19-16-15(11-30-19)17(21(28)29-6-3)24-25(20(16)27)14-9-7-13(22)8-10-14/h7-12H,4-6H2,1-3H3,(H,23,26)