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

Systemtic Name: ethyl 3-(4-methylphenyl)-4-oxidanylidene-5-(thiophen-2-ylcarbonylamino)thieno[3,4-d]pyridazine-1-carboxylate Openeye Name: ethyl 4-oxo-3-(p-tolyl)-5-(thiophene-2-carbonylamino)thieno[3,4-d]pyridazine-1-carboxylate CAS Name: 3-(4-methylphenyl)-4-oxo-5-[[oxo(thiophen-2-yl)methyl]amino]-1-thieno[3,4-d]pyridazinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-(4-methylphenyl)-4-oxo-5-(thiophene-2-carbonylamino)thieno[3,4-d]pyridazine-1-carboxylate Traditional Name: 4-keto-3-(p-tolyl)-5-(2-thenoylamino)thieno[3,4-d]pyridazine-1-carboxylic acid ethyl ester Formula: C21H17N3O4S2 MolecularWeight: 439.50738

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(=O)C2=C(SC=C21)NC(=O)C3=CC=CS3)C4=CC=C(C=C4)C

Isomeric SMILES

CCOC(=O)C1=NN(C(=O)C2=C(SC=C21)NC(=O)C3=CC=CS3)C4=CC=C(C=C4)C

InChI

InChI=1S/C21H17N3O4S2/c1-3-28-21(27)17-14-11-30-19(22-18(25)15-5-4-10-29-15)16(14)20(26)24(23-17)13-8-6-12(2)7-9-13/h4-11H,3H2,1-2H3,(H,22,25)