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

Systemtic Name: ethyl 3-(4-fluorophenyl)-4-oxidanylidene-5-(2-thiophen-2-ylethanoylamino)thieno[3,4-d]pyridazine-1-carboxylate Openeye Name: ethyl 3-(4-fluorophenyl)-4-oxo-5-[[2-(2-thienyl)acetyl]amino]thieno[3,4-d]pyridazine-1-carboxylate CAS Name: 3-(4-fluorophenyl)-4-oxo-5-[(1-oxo-2-thiophen-2-ylethyl)amino]-1-thieno[3,4-d]pyridazinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-(4-fluorophenyl)-4-oxo-5-[(2-thiophen-2-ylacetyl)amino]thieno[3,4-d]pyridazine-1-carboxylate Traditional Name: 3-(4-fluorophenyl)-4-keto-5-[[2-(2-thienyl)acetyl]amino]thieno[3,4-d]pyridazine-1-carboxylic acid ethyl ester Formula: C21H16FN3O4S2 MolecularWeight: 457.497843

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(=O)C2=C(SC=C21)NC(=O)CC3=CC=CS3)C4=CC=C(C=C4)F

Isomeric SMILES

CCOC(=O)C1=NN(C(=O)C2=C(SC=C21)NC(=O)CC3=CC=CS3)C4=CC=C(C=C4)F

InChI

InChI=1S/C21H16FN3O4S2/c1-2-29-21(28)18-15-11-31-19(23-16(26)10-14-4-3-9-30-14)17(15)20(27)25(24-18)13-7-5-12(22)6-8-13/h3-9,11H,2,10H2,1H3,(H,23,26)