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

Systemtic Name: ethyl 3-(3,4-dimethylphenyl)-4-oxidanylidene-5-(propanoylamino)thieno[3,4-d]pyridazine-1-carboxylate Openeye Name: ethyl 3-(3,4-dimethylphenyl)-4-oxo-5-(propanoylamino)thieno[3,4-d]pyridazine-1-carboxylate CAS Name: 3-(3,4-dimethylphenyl)-4-oxo-5-(1-oxopropylamino)-1-thieno[3,4-d]pyridazinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-(3,4-dimethylphenyl)-4-oxo-5-(propanoylamino)thieno[3,4-d]pyridazine-1-carboxylate Traditional Name: 3-(3,4-dimethylphenyl)-4-keto-5-propionamido-thieno[3,4-d]pyridazine-1-carboxylic acid ethyl ester Formula: C20H21N3O4S MolecularWeight: 399.46344

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O4S/c1-5-15(24)21-18-16-14(10-28-18)17(20(26)27-6-2)22-23(19(16)25)13-8-7-11(3)12(4)9-13/h7-10H,5-6H2,1-4H3,(H,21,24)