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

Systemtic Name: ethyl 5-(cyclopentylcarbonylamino)-3-(4-methylphenyl)-4-oxidanylidene-thieno[3,4-d]pyridazine-1-carboxylate Openeye Name: ethyl 5-(cyclopentanecarbonylamino)-4-oxo-3-(p-tolyl)thieno[3,4-d]pyridazine-1-carboxylate CAS Name: 5-[[cyclopentyl(oxo)methyl]amino]-3-(4-methylphenyl)-4-oxo-1-thieno[3,4-d]pyridazinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(cyclopentanecarbonylamino)-3-(4-methylphenyl)-4-oxothieno[3,4-d]pyridazine-1-carboxylate Traditional Name: 5-(cyclopentanecarbonylamino)-4-keto-3-(p-tolyl)thieno[3,4-d]pyridazine-1-carboxylic acid ethyl ester Formula: C22H23N3O4S MolecularWeight: 425.50072

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C22H23N3O4S/c1-3-29-22(28)18-16-12-30-20(23-19(26)14-6-4-5-7-14)17(16)21(27)25(24-18)15-10-8-13(2)9-11-15/h8-12,14H,3-7H2,1-2H3,(H,23,26)