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

Systemtic Name: ethyl 3-(4-fluorophenyl)-4-oxidanylidene-5-(4-phenylbutanoylamino)thieno[3,4-d]pyridazine-1-carboxylate Openeye Name: ethyl 3-(4-fluorophenyl)-4-oxo-5-(4-phenylbutanoylamino)thieno[3,4-d]pyridazine-1-carboxylate CAS Name: 3-(4-fluorophenyl)-4-oxo-5-[(1-oxo-4-phenylbutyl)amino]-1-thieno[3,4-d]pyridazinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-(4-fluorophenyl)-4-oxo-5-(4-phenylbutanoylamino)thieno[3,4-d]pyridazine-1-carboxylate Traditional Name: 3-(4-fluorophenyl)-4-keto-5-(4-phenylbutanoylamino)thieno[3,4-d]pyridazine-1-carboxylic acid ethyl ester Formula: C25H22FN3O4S MolecularWeight: 479.523283

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(=O)C2=C(SC=C21)NC(=O)CCCC3=CC=CC=C3)C4=CC=C(C=C4)F

Isomeric SMILES

CCOC(=O)C1=NN(C(=O)C2=C(SC=C21)NC(=O)CCCC3=CC=CC=C3)C4=CC=C(C=C4)F

InChI

InChI=1S/C25H22FN3O4S/c1-2-33-25(32)22-19-15-34-23(27-20(30)10-6-9-16-7-4-3-5-8-16)21(19)24(31)29(28-22)18-13-11-17(26)12-14-18/h3-5,7-8,11-15H,2,6,9-10H2,1H3,(H,27,30)