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

Systemtic Name: ethyl 4-oxidanylidene-3-phenyl-5-[(4-piperidin-1-ylsulfonylphenyl)carbonylamino]thieno[3,4-d]pyridazine-1-carboxylate Openeye Name: ethyl 4-oxo-3-phenyl-5-[[4-(1-piperidylsulfonyl)benzoyl]amino]thieno[3,4-d]pyridazine-1-carboxylate CAS Name: 4-oxo-5-[[oxo-[4-(1-piperidinylsulfonyl)phenyl]methyl]amino]-3-phenyl-1-thieno[3,4-d]pyridazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-oxo-3-phenyl-5-[(4-piperidin-1-ylsulfonylbenzoyl)amino]thieno[3,4-d]pyridazine-1-carboxylate Traditional Name: 4-keto-3-phenyl-5-[(4-piperidinosulfonylbenzoyl)amino]thieno[3,4-d]pyridazine-1-carboxylic acid ethyl ester Formula: C27H26N4O6S2 MolecularWeight: 566.64854

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(=O)C2=C(SC=C21)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCC4)C5=CC=CC=C5

Isomeric SMILES

CCOC(=O)C1=NN(C(=O)C2=C(SC=C21)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCC4)C5=CC=CC=C5

InChI

InChI=1S/C27H26N4O6S2/c1-2-37-27(34)23-21-17-38-25(22(21)26(33)31(29-23)19-9-5-3-6-10-19)28-24(32)18-11-13-20(14-12-18)39(35,36)30-15-7-4-8-16-30/h3,5-6,9-14,17H,2,4,7-8,15-16H2,1H3,(H,28,32)