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

Systemtic Name: ethyl 5-(2-ethoxyethanoylamino)-3-(4-fluorophenyl)-4-oxidanylidene-thieno[3,4-d]pyridazine-1-carboxylate Openeye Name: ethyl 5-[(2-ethoxyacetyl)amino]-3-(4-fluorophenyl)-4-oxo-thieno[3,4-d]pyridazine-1-carboxylate CAS Name: 5-[(2-ethoxy-1-oxoethyl)amino]-3-(4-fluorophenyl)-4-oxo-1-thieno[3,4-d]pyridazinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[(2-ethoxyacetyl)amino]-3-(4-fluorophenyl)-4-oxothieno[3,4-d]pyridazine-1-carboxylate Traditional Name: 5-[(2-ethoxyacetyl)amino]-3-(4-fluorophenyl)-4-keto-thieno[3,4-d]pyridazine-1-carboxylic acid ethyl ester Formula: C19H18FN3O5S MolecularWeight: 419.426723

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Descriptors Computed from Structure

Canonical SMILES:

CCOCC(=O)NC1=C2C(=CS1)C(=NN(C2=O)C3=CC=C(C=C3)F)C(=O)OCC

Isomeric SMILES

CCOCC(=O)NC1=C2C(=CS1)C(=NN(C2=O)C3=CC=C(C=C3)F)C(=O)OCC

InChI

InChI=1S/C19H18FN3O5S/c1-3-27-9-14(24)21-17-15-13(10-29-17)16(19(26)28-4-2)22-23(18(15)25)12-7-5-11(20)6-8-12/h5-8,10H,3-4,9H2,1-2H3,(H,21,24)