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

Systemtic Name: ethyl 5-(butanoylamino)-4-oxidanylidene-3-[4-(trifluoromethyl)phenyl]thieno[3,4-d]pyridazine-1-carboxylate Openeye Name: ethyl 5-(butanoylamino)-4-oxo-3-[4-(trifluoromethyl)phenyl]thieno[3,4-d]pyridazine-1-carboxylate CAS Name: 4-oxo-5-(1-oxobutylamino)-3-[4-(trifluoromethyl)phenyl]-1-thieno[3,4-d]pyridazinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(butanoylamino)-4-oxo-3-[4-(trifluoromethyl)phenyl]thieno[3,4-d]pyridazine-1-carboxylate Traditional Name: 5-butyramido-4-keto-3-[4-(trifluoromethyl)phenyl]thieno[3,4-d]pyridazine-1-carboxylic acid ethyl ester Formula: C20H18F3N3O4S MolecularWeight: 453.43483

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18F3N3O4S/c1-3-5-14(27)24-17-15-13(10-31-17)16(19(29)30-4-2)25-26(18(15)28)12-8-6-11(7-9-12)20(21,22)23/h6-10H,3-5H2,1-2H3,(H,24,27)