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

Systemtic Name: ethyl 5-(3,3-dimethylbutanoylamino)-4-oxidanylidene-3-phenyl-thieno[3,4-d]pyridazine-1-carboxylate Openeye Name: ethyl 5-(3,3-dimethylbutanoylamino)-4-oxo-3-phenyl-thieno[3,4-d]pyridazine-1-carboxylate CAS Name: 5-[(3,3-dimethyl-1-oxobutyl)amino]-4-oxo-3-phenyl-1-thieno[3,4-d]pyridazinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(3,3-dimethylbutanoylamino)-4-oxo-3-phenylthieno[3,4-d]pyridazine-1-carboxylate Traditional Name: 5-(3,3-dimethylbutanoylamino)-4-keto-3-phenyl-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:

CCOC(=O)C1=NN(C(=O)C2=C(SC=C21)NC(=O)CC(C)(C)C)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=NN(C(=O)C2=C(SC=C21)NC(=O)CC(C)(C)C)C3=CC=CC=C3

InChI

InChI=1S/C21H23N3O4S/c1-5-28-20(27)17-14-12-29-18(22-15(25)11-21(2,3)4)16(14)19(26)24(23-17)13-9-7-6-8-10-13/h6-10,12H,5,11H2,1-4H3,(H,22,25)