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

Systemtic Name: ethyl 3-(3-fluorophenyl)-4-oxidanylidene-5-(propanoylamino)thieno[3,4-d]pyridazine-1-carboxylate Openeye Name: ethyl 3-(3-fluorophenyl)-4-oxo-5-(propanoylamino)thieno[3,4-d]pyridazine-1-carboxylate CAS Name: 3-(3-fluorophenyl)-4-oxo-5-(1-oxopropylamino)-1-thieno[3,4-d]pyridazinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-(3-fluorophenyl)-4-oxo-5-(propanoylamino)thieno[3,4-d]pyridazine-1-carboxylate Traditional Name: 3-(3-fluorophenyl)-4-keto-5-propionamido-thieno[3,4-d]pyridazine-1-carboxylic acid ethyl ester Formula: C18H16FN3O4S MolecularWeight: 389.400743

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16FN3O4S/c1-3-13(23)20-16-14-12(9-27-16)15(18(25)26-4-2)21-22(17(14)24)11-7-5-6-10(19)8-11/h5-9H,3-4H2,1-2H3,(H,20,23)