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

Systemtic Name: ethyl 5-(cyclopentylcarbonylamino)-3-(4-methoxyphenyl)-4-oxidanylidene-thieno[3,4-d]pyridazine-1-carboxylate Openeye Name: ethyl 5-(cyclopentanecarbonylamino)-3-(4-methoxyphenyl)-4-oxo-thieno[3,4-d]pyridazine-1-carboxylate CAS Name: 5-[[cyclopentyl(oxo)methyl]amino]-3-(4-methoxyphenyl)-4-oxo-1-thieno[3,4-d]pyridazinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(cyclopentanecarbonylamino)-3-(4-methoxyphenyl)-4-oxothieno[3,4-d]pyridazine-1-carboxylate Traditional Name: 5-(cyclopentanecarbonylamino)-4-keto-3-(4-methoxyphenyl)thieno[3,4-d]pyridazine-1-carboxylic acid ethyl ester Formula: C22H23N3O5S MolecularWeight: 441.50012

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(=O)C2=C(SC=C21)NC(=O)C3CCCC3)C4=CC=C(C=C4)OC

Isomeric SMILES

CCOC(=O)C1=NN(C(=O)C2=C(SC=C21)NC(=O)C3CCCC3)C4=CC=C(C=C4)OC

InChI

InChI=1S/C22H23N3O5S/c1-3-30-22(28)18-16-12-31-20(23-19(26)13-6-4-5-7-13)17(16)21(27)25(24-18)14-8-10-15(29-2)11-9-14/h8-13H,3-7H2,1-2H3,(H,23,26)