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

Systemtic Name: ethyl 5-(3-cyclopentylpropanoylamino)-3-(4-methylphenyl)-4-oxidanylidene-thieno[3,4-d]pyridazine-1-carboxylate Openeye Name: ethyl 5-(3-cyclopentylpropanoylamino)-4-oxo-3-(p-tolyl)thieno[3,4-d]pyridazine-1-carboxylate CAS Name: 5-[(3-cyclopentyl-1-oxopropyl)amino]-3-(4-methylphenyl)-4-oxo-1-thieno[3,4-d]pyridazinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(3-cyclopentylpropanoylamino)-3-(4-methylphenyl)-4-oxothieno[3,4-d]pyridazine-1-carboxylate Traditional Name: 5-(3-cyclopentylpropanoylamino)-4-keto-3-(p-tolyl)thieno[3,4-d]pyridazine-1-carboxylic acid ethyl ester Formula: C24H27N3O4S MolecularWeight: 453.55388

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(=O)C2=C(SC=C21)NC(=O)CCC3CCCC3)C4=CC=C(C=C4)C

Isomeric SMILES

CCOC(=O)C1=NN(C(=O)C2=C(SC=C21)NC(=O)CCC3CCCC3)C4=CC=C(C=C4)C

InChI

InChI=1S/C24H27N3O4S/c1-3-31-24(30)21-18-14-32-22(25-19(28)13-10-16-6-4-5-7-16)20(18)23(29)27(26-21)17-11-8-15(2)9-12-17/h8-9,11-12,14,16H,3-7,10,13H2,1-2H3,(H,25,28)