ethyl 5-(2,2-dimethylpropanoylamino)-3-(3-methylphenyl)-4-oxidanylidene-thieno[3,4-d]pyridazine-1-carboxylate

Systemtic Name: ethyl 5-(2,2-dimethylpropanoylamino)-3-(3-methylphenyl)-4-oxidanylidene-thieno[3,4-d]pyridazine-1-carboxylate Openeye Name: ethyl 5-(2,2-dimethylpropanoylamino)-3-(m-tolyl)-4-oxo-thieno[3,4-d]pyridazine-1-carboxylate CAS Name: 5-[(2,2-dimethyl-1-oxopropyl)amino]-3-(3-methylphenyl)-4-oxo-1-thieno[3,4-d]pyridazinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(2,2-dimethylpropanoylamino)-3-(3-methylphenyl)-4-oxothieno[3,4-d]pyridazine-1-carboxylate Traditional Name: 4-keto-3-(m-tolyl)-5-(pivaloylamino)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)C(C)(C)C)C3=CC=CC(=C3)C

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O4S/c1-6-28-19(26)16-14-11-29-17(22-20(27)21(3,4)5)15(14)18(25)24(23-16)13-9-7-8-12(2)10-13/h7-11H,6H2,1-5H3,(H,22,27)