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

Systemtic Name: ethyl 5-(3-cyclohexylpropanoylamino)-4-oxidanylidene-3-phenyl-thieno[3,4-d]pyridazine-1-carboxylate Openeye Name: ethyl 5-(3-cyclohexylpropanoylamino)-4-oxo-3-phenyl-thieno[3,4-d]pyridazine-1-carboxylate CAS Name: 5-[(3-cyclohexyl-1-oxopropyl)amino]-4-oxo-3-phenyl-1-thieno[3,4-d]pyridazinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(3-cyclohexylpropanoylamino)-4-oxo-3-phenylthieno[3,4-d]pyridazine-1-carboxylate Traditional Name: 5-(3-cyclohexylpropanoylamino)-4-keto-3-phenyl-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)CCC3CCCCC3)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=NN(C(=O)C2=C(SC=C21)NC(=O)CCC3CCCCC3)C4=CC=CC=C4

InChI

InChI=1S/C24H27N3O4S/c1-2-31-24(30)21-18-15-32-22(25-19(28)14-13-16-9-5-3-6-10-16)20(18)23(29)27(26-21)17-11-7-4-8-12-17/h4,7-8,11-12,15-16H,2-3,5-6,9-10,13-14H2,1H3,(H,25,28)