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

Systemtic Name: ethyl 3-(4-methylphenyl)-4-oxidanylidene-5-(2-thiophen-2-ylethanoylamino)thieno[3,4-d]pyridazine-1-carboxylate Openeye Name: ethyl 4-oxo-3-(p-tolyl)-5-[[2-(2-thienyl)acetyl]amino]thieno[3,4-d]pyridazine-1-carboxylate CAS Name: 3-(4-methylphenyl)-4-oxo-5-[(1-oxo-2-thiophen-2-ylethyl)amino]-1-thieno[3,4-d]pyridazinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-(4-methylphenyl)-4-oxo-5-[(2-thiophen-2-ylacetyl)amino]thieno[3,4-d]pyridazine-1-carboxylate Traditional Name: 4-keto-3-(p-tolyl)-5-[[2-(2-thienyl)acetyl]amino]thieno[3,4-d]pyridazine-1-carboxylic acid ethyl ester Formula: C22H19N3O4S2 MolecularWeight: 453.53396

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(=O)C2=C(SC=C21)NC(=O)CC3=CC=CS3)C4=CC=C(C=C4)C

Isomeric SMILES

CCOC(=O)C1=NN(C(=O)C2=C(SC=C21)NC(=O)CC3=CC=CS3)C4=CC=C(C=C4)C

InChI

InChI=1S/C22H19N3O4S2/c1-3-29-22(28)19-16-12-31-20(23-17(26)11-15-5-4-10-30-15)18(16)21(27)25(24-19)14-8-6-13(2)7-9-14/h4-10,12H,3,11H2,1-2H3,(H,23,26)