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

Systemtic Name: ethyl 3-(4-fluorophenyl)-5-(2-methoxyethanoylamino)-4-oxidanylidene-thieno[3,4-d]pyridazine-1-carboxylate Openeye Name: ethyl 3-(4-fluorophenyl)-5-[(2-methoxyacetyl)amino]-4-oxo-thieno[3,4-d]pyridazine-1-carboxylate CAS Name: 3-(4-fluorophenyl)-5-[(2-methoxy-1-oxoethyl)amino]-4-oxo-1-thieno[3,4-d]pyridazinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-(4-fluorophenyl)-5-[(2-methoxyacetyl)amino]-4-oxothieno[3,4-d]pyridazine-1-carboxylate Traditional Name: 3-(4-fluorophenyl)-4-keto-5-[(2-methoxyacetyl)amino]thieno[3,4-d]pyridazine-1-carboxylic acid ethyl ester Formula: C18H16FN3O5S MolecularWeight: 405.400143

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16FN3O5S/c1-3-27-18(25)15-12-9-28-16(20-13(23)8-26-2)14(12)17(24)22(21-15)11-6-4-10(19)5-7-11/h4-7,9H,3,8H2,1-2H3,(H,20,23)