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

Systemtic Name: ethyl 3-(4-methoxyphenyl)-4-oxidanylidene-5-[(4-pyrrolidin-1-ylsulfonylphenyl)carbonylamino]thieno[3,4-d]pyridazine-1-carboxylate Openeye Name: ethyl 3-(4-methoxyphenyl)-4-oxo-5-[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]thieno[3,4-d]pyridazine-1-carboxylate CAS Name: 3-(4-methoxyphenyl)-4-oxo-5-[[oxo-[4-(1-pyrrolidinylsulfonyl)phenyl]methyl]amino]-1-thieno[3,4-d]pyridazinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-(4-methoxyphenyl)-4-oxo-5-[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]thieno[3,4-d]pyridazine-1-carboxylate Traditional Name: 4-keto-3-(4-methoxyphenyl)-5-[(4-pyrrolidinosulfonylbenzoyl)amino]thieno[3,4-d]pyridazine-1-carboxylic acid ethyl ester Formula: C27H26N4O7S2 MolecularWeight: 582.64794

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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)OC

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)OC

InChI

InChI=1S/C27H26N4O7S2/c1-3-38-27(34)23-21-16-39-25(22(21)26(33)31(29-23)18-8-10-19(37-2)11-9-18)28-24(32)17-6-12-20(13-7-17)40(35,36)30-14-4-5-15-30/h6-13,16H,3-5,14-15H2,1-2H3,(H,28,32)