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

Systemtic Name: ethyl 4-oxidanylidene-3-phenyl-5-[(3,4,5-triethoxyphenyl)carbonylamino]thieno[3,4-d]pyridazine-1-carboxylate Openeye Name: ethyl 4-oxo-3-phenyl-5-[(3,4,5-triethoxybenzoyl)amino]thieno[3,4-d]pyridazine-1-carboxylate CAS Name: 4-oxo-5-[[oxo-(3,4,5-triethoxyphenyl)methyl]amino]-3-phenyl-1-thieno[3,4-d]pyridazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-oxo-3-phenyl-5-[(3,4,5-triethoxybenzoyl)amino]thieno[3,4-d]pyridazine-1-carboxylate Traditional Name: 4-keto-3-phenyl-5-[(3,4,5-triethoxybenzoyl)amino]thieno[3,4-d]pyridazine-1-carboxylic acid ethyl ester Formula: C28H29N3O7S MolecularWeight: 551.61076

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NC2=C3C(=CS2)C(=NN(C3=O)C4=CC=CC=C4)C(=O)OCC

Isomeric SMILES

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NC2=C3C(=CS2)C(=NN(C3=O)C4=CC=CC=C4)C(=O)OCC

InChI

InChI=1S/C28H29N3O7S/c1-5-35-20-14-17(15-21(36-6-2)24(20)37-7-3)25(32)29-26-22-19(16-39-26)23(28(34)38-8-4)30-31(27(22)33)18-12-10-9-11-13-18/h9-16H,5-8H2,1-4H3,(H,29,32)