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

Systemtic Name: ethyl 4-oxidanylidene-3-phenyl-5-(phenylmethoxycarbonylamino)thieno[3,4-d]pyridazine-1-carboxylate Openeye Name: ethyl 5-(benzyloxycarbonylamino)-4-oxo-3-phenyl-thieno[3,4-d]pyridazine-1-carboxylate CAS Name: 4-oxo-3-phenyl-5-(phenylmethoxycarbonylamino)-1-thieno[3,4-d]pyridazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-oxo-3-phenyl-5-(phenylmethoxycarbonylamino)thieno[3,4-d]pyridazine-1-carboxylate Traditional Name: 5-(benzyloxycarbonylamino)-4-keto-3-phenyl-thieno[3,4-d]pyridazine-1-carboxylic acid ethyl ester Formula: C23H19N3O5S MolecularWeight: 449.47906

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(=O)C2=C(SC=C21)NC(=O)OCC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=NN(C(=O)C2=C(SC=C21)NC(=O)OCC3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C23H19N3O5S/c1-2-30-22(28)19-17-14-32-20(24-23(29)31-13-15-9-5-3-6-10-15)18(17)21(27)26(25-19)16-11-7-4-8-12-16/h3-12,14H,2,13H2,1H3,(H,24,29)