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

Systemtic Name: ethyl 5-(3-methylbutanoylamino)-4-oxidanylidene-3-phenyl-thieno[3,4-d]pyridazine-1-carboxylate Openeye Name: ethyl 5-(3-methylbutanoylamino)-4-oxo-3-phenyl-thieno[3,4-d]pyridazine-1-carboxylate CAS Name: 5-[(3-methyl-1-oxobutyl)amino]-4-oxo-3-phenyl-1-thieno[3,4-d]pyridazinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(3-methylbutanoylamino)-4-oxo-3-phenylthieno[3,4-d]pyridazine-1-carboxylate Traditional Name: 5-(isovalerylamino)-4-keto-3-phenyl-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:

CCOC(=O)C1=NN(C(=O)C2=C(SC=C21)NC(=O)CC(C)C)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=NN(C(=O)C2=C(SC=C21)NC(=O)CC(C)C)C3=CC=CC=C3

InChI

InChI=1S/C20H21N3O4S/c1-4-27-20(26)17-14-11-28-18(21-15(24)10-12(2)3)16(14)19(25)23(22-17)13-8-6-5-7-9-13/h5-9,11-12H,4,10H2,1-3H3,(H,21,24)