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

Systemtic Name: ethyl 3-(4-chlorophenyl)-4-oxidanylidene-5-(phenylmethoxycarbonylamino)thieno[3,4-d]pyridazine-1-carboxylate Openeye Name: ethyl 5-(benzyloxycarbonylamino)-3-(4-chlorophenyl)-4-oxo-thieno[3,4-d]pyridazine-1-carboxylate CAS Name: 3-(4-chlorophenyl)-4-oxo-5-(phenylmethoxycarbonylamino)-1-thieno[3,4-d]pyridazinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-(4-chlorophenyl)-4-oxo-5-(phenylmethoxycarbonylamino)thieno[3,4-d]pyridazine-1-carboxylate Traditional Name: 5-(benzyloxycarbonylamino)-3-(4-chlorophenyl)-4-keto-thieno[3,4-d]pyridazine-1-carboxylic acid ethyl ester Formula: C23H18ClN3O5S MolecularWeight: 483.92412

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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=C(C=C4)Cl

Isomeric SMILES

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

InChI

InChI=1S/C23H18ClN3O5S/c1-2-31-22(29)19-17-13-33-20(25-23(30)32-12-14-6-4-3-5-7-14)18(17)21(28)27(26-19)16-10-8-15(24)9-11-16/h3-11,13H,2,12H2,1H3,(H,25,30)