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

Systemtic Name: ethyl 3-(3-methylphenyl)-4-oxidanylidene-5-(pentanoylamino)thieno[3,4-d]pyridazine-1-carboxylate Openeye Name: ethyl 3-(m-tolyl)-4-oxo-5-(pentanoylamino)thieno[3,4-d]pyridazine-1-carboxylate CAS Name: 3-(3-methylphenyl)-4-oxo-5-(1-oxopentylamino)-1-thieno[3,4-d]pyridazinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-(3-methylphenyl)-4-oxo-5-(pentanoylamino)thieno[3,4-d]pyridazine-1-carboxylate Traditional Name: 4-keto-3-(m-tolyl)-5-(valerylamino)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:

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

Isomeric SMILES

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

InChI

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