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

Systemtic Name: ethyl 3-(4-methoxyphenyl)-4-oxidanylidene-5-[(4-piperidin-1-ylsulfonylphenyl)carbonylamino]thieno[3,4-d]pyridazine-1-carboxylate Openeye Name: ethyl 3-(4-methoxyphenyl)-4-oxo-5-[[4-(1-piperidylsulfonyl)benzoyl]amino]thieno[3,4-d]pyridazine-1-carboxylate CAS Name: 3-(4-methoxyphenyl)-4-oxo-5-[[oxo-[4-(1-piperidinylsulfonyl)phenyl]methyl]amino]-1-thieno[3,4-d]pyridazinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-(4-methoxyphenyl)-4-oxo-5-[(4-piperidin-1-ylsulfonylbenzoyl)amino]thieno[3,4-d]pyridazine-1-carboxylate Traditional Name: 4-keto-3-(4-methoxyphenyl)-5-[(4-piperidinosulfonylbenzoyl)amino]thieno[3,4-d]pyridazine-1-carboxylic acid ethyl ester Formula: C28H28N4O7S2 MolecularWeight: 596.67452

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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=C(C=C5)OC

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=C(C=C5)OC

InChI

InChI=1S/C28H28N4O7S2/c1-3-39-28(35)24-22-17-40-26(23(22)27(34)32(30-24)19-9-11-20(38-2)12-10-19)29-25(33)18-7-13-21(14-8-18)41(36,37)31-15-5-4-6-16-31/h7-14,17H,3-6,15-16H2,1-2H3,(H,29,33)