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

Systemtic Name: ethyl 3-(4-methylphenyl)-4-oxidanylidene-5-[(4-piperidin-1-ylsulfonylphenyl)carbonylamino]thieno[3,4-d]pyridazine-1-carboxylate Openeye Name: ethyl 4-oxo-5-[[4-(1-piperidylsulfonyl)benzoyl]amino]-3-(p-tolyl)thieno[3,4-d]pyridazine-1-carboxylate CAS Name: 3-(4-methylphenyl)-4-oxo-5-[[oxo-[4-(1-piperidinylsulfonyl)phenyl]methyl]amino]-1-thieno[3,4-d]pyridazinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-(4-methylphenyl)-4-oxo-5-[(4-piperidin-1-ylsulfonylbenzoyl)amino]thieno[3,4-d]pyridazine-1-carboxylate Traditional Name: 4-keto-5-[(4-piperidinosulfonylbenzoyl)amino]-3-(p-tolyl)thieno[3,4-d]pyridazine-1-carboxylic acid ethyl ester Formula: C28H28N4O6S2 MolecularWeight: 580.67512

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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)C

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)C

InChI

InChI=1S/C28H28N4O6S2/c1-3-38-28(35)24-22-17-39-26(23(22)27(34)32(30-24)20-11-7-18(2)8-12-20)29-25(33)19-9-13-21(14-10-19)40(36,37)31-15-5-4-6-16-31/h7-14,17H,3-6,15-16H2,1-2H3,(H,29,33)