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

Systemtic Name: ethyl 3-(4-ethoxyphenyl)-4-oxidanylidene-5-(propanoylamino)thieno[3,4-d]pyridazine-1-carboxylate Openeye Name: ethyl 3-(4-ethoxyphenyl)-4-oxo-5-(propanoylamino)thieno[3,4-d]pyridazine-1-carboxylate CAS Name: 3-(4-ethoxyphenyl)-4-oxo-5-(1-oxopropylamino)-1-thieno[3,4-d]pyridazinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-(4-ethoxyphenyl)-4-oxo-5-(propanoylamino)thieno[3,4-d]pyridazine-1-carboxylate Traditional Name: 4-keto-3-p-phenetyl-5-propionamido-thieno[3,4-d]pyridazine-1-carboxylic acid ethyl ester Formula: C20H21N3O5S MolecularWeight: 415.46284

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O5S/c1-4-15(24)21-18-16-14(11-29-18)17(20(26)28-6-3)22-23(19(16)25)12-7-9-13(10-8-12)27-5-2/h7-11H,4-6H2,1-3H3,(H,21,24)