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

Systemtic Name: ethyl 4-oxidanylidene-5-(propanoylamino)-3-(4-propan-2-ylphenyl)thieno[3,4-d]pyridazine-1-carboxylate Openeye Name: ethyl 3-(4-isopropylphenyl)-4-oxo-5-(propanoylamino)thieno[3,4-d]pyridazine-1-carboxylate CAS Name: 4-oxo-5-(1-oxopropylamino)-3-(4-propan-2-ylphenyl)-1-thieno[3,4-d]pyridazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-oxo-5-(propanoylamino)-3-(4-propan-2-ylphenyl)thieno[3,4-d]pyridazine-1-carboxylate Traditional Name: 4-keto-3-p-cumenyl-5-propionamido-thieno[3,4-d]pyridazine-1-carboxylic acid ethyl ester Formula: C21H23N3O4S MolecularWeight: 413.49002

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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)C)C(=O)OCC

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O4S/c1-5-16(25)22-19-17-15(11-29-19)18(21(27)28-6-2)23-24(20(17)26)14-9-7-13(8-10-14)12(3)4/h7-12H,5-6H2,1-4H3,(H,22,25)