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

Systemtic Name: ethyl 5-(cyclohexylcarbonylamino)-3-(4-methoxyphenyl)-4-oxidanylidene-thieno[3,4-d]pyridazine-1-carboxylate Openeye Name: ethyl 5-(cyclohexanecarbonylamino)-3-(4-methoxyphenyl)-4-oxo-thieno[3,4-d]pyridazine-1-carboxylate CAS Name: 5-[[cyclohexyl(oxo)methyl]amino]-3-(4-methoxyphenyl)-4-oxo-1-thieno[3,4-d]pyridazinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(cyclohexanecarbonylamino)-3-(4-methoxyphenyl)-4-oxothieno[3,4-d]pyridazine-1-carboxylate Traditional Name: 5-(cyclohexanecarbonylamino)-4-keto-3-(4-methoxyphenyl)thieno[3,4-d]pyridazine-1-carboxylic acid ethyl ester Formula: C23H25N3O5S MolecularWeight: 455.5267

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(=O)C2=C(SC=C21)NC(=O)C3CCCCC3)C4=CC=C(C=C4)OC

Isomeric SMILES

CCOC(=O)C1=NN(C(=O)C2=C(SC=C21)NC(=O)C3CCCCC3)C4=CC=C(C=C4)OC

InChI

InChI=1S/C23H25N3O5S/c1-3-31-23(29)19-17-13-32-21(24-20(27)14-7-5-4-6-8-14)18(17)22(28)26(25-19)15-9-11-16(30-2)12-10-15/h9-14H,3-8H2,1-2H3,(H,24,27)