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

Systemtic Name: ethyl 4-oxidanylidene-3-phenyl-5-[(4-pyrrolidin-1-ylsulfonylphenyl)carbonylamino]thieno[3,4-d]pyridazine-1-carboxylate Openeye Name: ethyl 4-oxo-3-phenyl-5-[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]thieno[3,4-d]pyridazine-1-carboxylate CAS Name: 4-oxo-5-[[oxo-[4-(1-pyrrolidinylsulfonyl)phenyl]methyl]amino]-3-phenyl-1-thieno[3,4-d]pyridazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-oxo-3-phenyl-5-[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]thieno[3,4-d]pyridazine-1-carboxylate Traditional Name: 4-keto-3-phenyl-5-[(4-pyrrolidinosulfonylbenzoyl)amino]thieno[3,4-d]pyridazine-1-carboxylic acid ethyl ester Formula: C26H24N4O6S2 MolecularWeight: 552.62196

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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=CC=C5

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=CC=C5

InChI

InChI=1S/C26H24N4O6S2/c1-2-36-26(33)22-20-16-37-24(21(20)25(32)30(28-22)18-8-4-3-5-9-18)27-23(31)17-10-12-19(13-11-17)38(34,35)29-14-6-7-15-29/h3-5,8-13,16H,2,6-7,14-15H2,1H3,(H,27,31)