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

Systemtic Name: ethyl 5-(ethoxycarbonylamino)-3-(3-fluorophenyl)-4-oxidanylidene-thieno[3,4-d]pyridazine-1-carboxylate Openeye Name: ethyl 5-(ethoxycarbonylamino)-3-(3-fluorophenyl)-4-oxo-thieno[3,4-d]pyridazine-1-carboxylate CAS Name: 5-(ethoxycarbonylamino)-3-(3-fluorophenyl)-4-oxo-1-thieno[3,4-d]pyridazinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(ethoxycarbonylamino)-3-(3-fluorophenyl)-4-oxothieno[3,4-d]pyridazine-1-carboxylate Traditional Name: 5-(carbethoxyamino)-3-(3-fluorophenyl)-4-keto-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)OCC)C3=CC(=CC=C3)F

Isomeric SMILES

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

InChI

InChI=1S/C18H16FN3O5S/c1-3-26-17(24)14-12-9-28-15(20-18(25)27-4-2)13(12)16(23)22(21-14)11-7-5-6-10(19)8-11/h5-9H,3-4H2,1-2H3,(H,20,25)