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

Systemtic Name: ethyl 3-(4-fluorophenyl)-4-oxidanylidene-5-(2-phenylethanoylamino)thieno[3,4-d]pyridazine-1-carboxylate Openeye Name: ethyl 3-(4-fluorophenyl)-4-oxo-5-[(2-phenylacetyl)amino]thieno[3,4-d]pyridazine-1-carboxylate CAS Name: 3-(4-fluorophenyl)-4-oxo-5-[(1-oxo-2-phenylethyl)amino]-1-thieno[3,4-d]pyridazinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-(4-fluorophenyl)-4-oxo-5-[(2-phenylacetyl)amino]thieno[3,4-d]pyridazine-1-carboxylate Traditional Name: 3-(4-fluorophenyl)-4-keto-5-[(2-phenylacetyl)amino]thieno[3,4-d]pyridazine-1-carboxylic acid ethyl ester Formula: C23H18FN3O4S MolecularWeight: 451.470123

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(=O)C2=C(SC=C21)NC(=O)CC3=CC=CC=C3)C4=CC=C(C=C4)F

Isomeric SMILES

CCOC(=O)C1=NN(C(=O)C2=C(SC=C21)NC(=O)CC3=CC=CC=C3)C4=CC=C(C=C4)F

InChI

InChI=1S/C23H18FN3O4S/c1-2-31-23(30)20-17-13-32-21(25-18(28)12-14-6-4-3-5-7-14)19(17)22(29)27(26-20)16-10-8-15(24)9-11-16/h3-11,13H,2,12H2,1H3,(H,25,28)