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

Systemtic Name: ethyl 5-(2,2-dimethylpropanoylamino)-4-oxidanylidene-3-phenyl-thieno[3,4-d]pyridazine-1-carboxylate Openeye Name: ethyl 5-(2,2-dimethylpropanoylamino)-4-oxo-3-phenyl-thieno[3,4-d]pyridazine-1-carboxylate CAS Name: 5-[(2,2-dimethyl-1-oxopropyl)amino]-4-oxo-3-phenyl-1-thieno[3,4-d]pyridazinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(2,2-dimethylpropanoylamino)-4-oxo-3-phenylthieno[3,4-d]pyridazine-1-carboxylate Traditional Name: 4-keto-3-phenyl-5-(pivaloylamino)thieno[3,4-d]pyridazine-1-carboxylic acid ethyl ester Formula: C20H21N3O4S MolecularWeight: 399.46344

Click to see the large picture

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O4S/c1-5-27-18(25)15-13-11-28-16(21-19(26)20(2,3)4)14(13)17(24)23(22-15)12-9-7-6-8-10-12/h6-11H,5H2,1-4H3,(H,21,26)