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

Systemtic Name: ethyl 4-oxidanylidene-5-(pentanoylamino)-3-phenyl-thieno[3,4-d]pyridazine-1-carboxylate Openeye Name: ethyl 4-oxo-5-(pentanoylamino)-3-phenyl-thieno[3,4-d]pyridazine-1-carboxylate CAS Name: 4-oxo-5-(1-oxopentylamino)-3-phenyl-1-thieno[3,4-d]pyridazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-oxo-5-(pentanoylamino)-3-phenylthieno[3,4-d]pyridazine-1-carboxylate Traditional Name: 4-keto-3-phenyl-5-(valerylamino)thieno[3,4-d]pyridazine-1-carboxylic acid ethyl ester Formula: C20H21N3O4S MolecularWeight: 399.46344

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O4S/c1-3-5-11-15(24)21-18-16-14(12-28-18)17(20(26)27-4-2)22-23(19(16)25)13-9-7-6-8-10-13/h6-10,12H,3-5,11H2,1-2H3,(H,21,24)