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

Systemtic Name: ethyl 5-(butanoylamino)-3-(3,4-dimethylphenyl)-4-oxidanylidene-thieno[3,4-d]pyridazine-1-carboxylate Openeye Name: ethyl 5-(butanoylamino)-3-(3,4-dimethylphenyl)-4-oxo-thieno[3,4-d]pyridazine-1-carboxylate CAS Name: 3-(3,4-dimethylphenyl)-4-oxo-5-(1-oxobutylamino)-1-thieno[3,4-d]pyridazinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(butanoylamino)-3-(3,4-dimethylphenyl)-4-oxothieno[3,4-d]pyridazine-1-carboxylate Traditional Name: 5-butyramido-3-(3,4-dimethylphenyl)-4-keto-thieno[3,4-d]pyridazine-1-carboxylic acid ethyl ester Formula: C21H23N3O4S MolecularWeight: 413.49002

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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)C)C(=O)OCC

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O4S/c1-5-7-16(25)22-19-17-15(11-29-19)18(21(27)28-6-2)23-24(20(17)26)14-9-8-12(3)13(4)10-14/h8-11H,5-7H2,1-4H3,(H,22,25)