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

Systemtic Name: ethyl 5-(butanoylamino)-4-oxidanylidene-3-phenyl-thieno[3,4-d]pyridazine-1-carboxylate Openeye Name: ethyl 5-(butanoylamino)-4-oxo-3-phenyl-thieno[3,4-d]pyridazine-1-carboxylate CAS Name: 4-oxo-5-(1-oxobutylamino)-3-phenyl-1-thieno[3,4-d]pyridazinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(butanoylamino)-4-oxo-3-phenylthieno[3,4-d]pyridazine-1-carboxylate Traditional Name: 5-butyramido-4-keto-3-phenyl-thieno[3,4-d]pyridazine-1-carboxylic acid ethyl ester Formula: C19H19N3O4S MolecularWeight: 385.43686

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19N3O4S/c1-3-8-14(23)20-17-15-13(11-27-17)16(19(25)26-4-2)21-22(18(15)24)12-9-6-5-7-10-12/h5-7,9-11H,3-4,8H2,1-2H3,(H,20,23)