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

Systemtic Name: ethyl 3-(4-methylphenyl)-4-oxidanylidene-5-(propanoylamino)thieno[3,4-d]pyridazine-1-carboxylate Openeye Name: ethyl 4-oxo-5-(propanoylamino)-3-(p-tolyl)thieno[3,4-d]pyridazine-1-carboxylate CAS Name: 3-(4-methylphenyl)-4-oxo-5-(1-oxopropylamino)-1-thieno[3,4-d]pyridazinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-(4-methylphenyl)-4-oxo-5-(propanoylamino)thieno[3,4-d]pyridazine-1-carboxylate Traditional Name: 4-keto-5-propionamido-3-(p-tolyl)thieno[3,4-d]pyridazine-1-carboxylic acid ethyl ester Formula: C19H19N3O4S MolecularWeight: 385.43686

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=C2C(=CS1)C(=NN(C2=O)C3=CC=C(C=C3)C)C(=O)OCC

Isomeric SMILES

CCC(=O)NC1=C2C(=CS1)C(=NN(C2=O)C3=CC=C(C=C3)C)C(=O)OCC

InChI

InChI=1S/C19H19N3O4S/c1-4-14(23)20-17-15-13(10-27-17)16(19(25)26-5-2)21-22(18(15)24)12-8-6-11(3)7-9-12/h6-10H,4-5H2,1-3H3,(H,20,23)