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

Systemtic Name: ethyl 3-(4-methylphenyl)-4-oxidanylidene-5-(phenylmethoxycarbonylamino)thieno[3,4-d]pyridazine-1-carboxylate Openeye Name: ethyl 5-(benzyloxycarbonylamino)-4-oxo-3-(p-tolyl)thieno[3,4-d]pyridazine-1-carboxylate CAS Name: 3-(4-methylphenyl)-4-oxo-5-(phenylmethoxycarbonylamino)-1-thieno[3,4-d]pyridazinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-(4-methylphenyl)-4-oxo-5-(phenylmethoxycarbonylamino)thieno[3,4-d]pyridazine-1-carboxylate Traditional Name: 5-(benzyloxycarbonylamino)-4-keto-3-(p-tolyl)thieno[3,4-d]pyridazine-1-carboxylic acid ethyl ester Formula: C24H21N3O5S MolecularWeight: 463.50564

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C24H21N3O5S/c1-3-31-23(29)20-18-14-33-21(25-24(30)32-13-16-7-5-4-6-8-16)19(18)22(28)27(26-20)17-11-9-15(2)10-12-17/h4-12,14H,3,13H2,1-2H3,(H,25,30)