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

Systemtic Name: ethyl 3-(4-methylphenyl)-4-oxidanylidene-5-[(4-pyrrolidin-1-ylsulfonylphenyl)carbonylamino]thieno[3,4-d]pyridazine-1-carboxylate Openeye Name: ethyl 4-oxo-3-(p-tolyl)-5-[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]thieno[3,4-d]pyridazine-1-carboxylate CAS Name: 3-(4-methylphenyl)-4-oxo-5-[[oxo-[4-(1-pyrrolidinylsulfonyl)phenyl]methyl]amino]-1-thieno[3,4-d]pyridazinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-(4-methylphenyl)-4-oxo-5-[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]thieno[3,4-d]pyridazine-1-carboxylate Traditional Name: 4-keto-3-(p-tolyl)-5-[(4-pyrrolidinosulfonylbenzoyl)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)N4CCCC4)C5=CC=C(C=C5)C

Isomeric SMILES

CCOC(=O)C1=NN(C(=O)C2=C(SC=C21)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4)C5=CC=C(C=C5)C

InChI

InChI=1S/C27H26N4O6S2/c1-3-37-27(34)23-21-16-38-25(22(21)26(33)31(29-23)19-10-6-17(2)7-11-19)28-24(32)18-8-12-20(13-9-18)39(35,36)30-14-4-5-15-30/h6-13,16H,3-5,14-15H2,1-2H3,(H,28,32)