ethyl 5-acetamido-4-oxidanylidene-3-(4-propan-2-ylphenyl)thieno[3,4-d]pyridazine-1-carboxylate

Systemtic Name: ethyl 5-acetamido-4-oxidanylidene-3-(4-propan-2-ylphenyl)thieno[3,4-d]pyridazine-1-carboxylate Openeye Name: ethyl 5-acetamido-3-(4-isopropylphenyl)-4-oxo-thieno[3,4-d]pyridazine-1-carboxylate CAS Name: 5-acetamido-4-oxo-3-(4-propan-2-ylphenyl)-1-thieno[3,4-d]pyridazinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-acetamido-4-oxo-3-(4-propan-2-ylphenyl)thieno[3,4-d]pyridazine-1-carboxylate Traditional Name: 5-acetamido-4-keto-3-p-cumenyl-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:

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

Isomeric SMILES

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

InChI

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