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

Systemtic Name: ethyl 5-(butanoylamino)-3-(3-fluorophenyl)-4-oxidanylidene-thieno[3,4-d]pyridazine-1-carboxylate Openeye Name: ethyl 5-(butanoylamino)-3-(3-fluorophenyl)-4-oxo-thieno[3,4-d]pyridazine-1-carboxylate CAS Name: 3-(3-fluorophenyl)-4-oxo-5-(1-oxobutylamino)-1-thieno[3,4-d]pyridazinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(butanoylamino)-3-(3-fluorophenyl)-4-oxothieno[3,4-d]pyridazine-1-carboxylate Traditional Name: 5-butyramido-3-(3-fluorophenyl)-4-keto-thieno[3,4-d]pyridazine-1-carboxylic acid ethyl ester Formula: C19H18FN3O4S MolecularWeight: 403.427323

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18FN3O4S/c1-3-6-14(24)21-17-15-13(10-28-17)16(19(26)27-4-2)22-23(18(15)25)12-8-5-7-11(20)9-12/h5,7-10H,3-4,6H2,1-2H3,(H,21,24)