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

Systemtic Name: ethyl 5-(1-adamantylcarbonylamino)-4-oxidanylidene-3-phenyl-thieno[3,4-d]pyridazine-1-carboxylate Openeye Name: ethyl 5-(adamantane-1-carbonylamino)-4-oxo-3-phenyl-thieno[3,4-d]pyridazine-1-carboxylate CAS Name: 5-[[1-adamantyl(oxo)methyl]amino]-4-oxo-3-phenyl-1-thieno[3,4-d]pyridazinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(adamantane-1-carbonylamino)-4-oxo-3-phenylthieno[3,4-d]pyridazine-1-carboxylate Traditional Name: 5-(adamantane-1-carbonylamino)-4-keto-3-phenyl-thieno[3,4-d]pyridazine-1-carboxylic acid ethyl ester Formula: C26H27N3O4S MolecularWeight: 477.57528

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(=O)C2=C(SC=C21)NC(=O)C34CC5CC(C3)CC(C5)C4)C6=CC=CC=C6

Isomeric SMILES

CCOC(=O)C1=NN(C(=O)C2=C(SC=C21)NC(=O)C34CC5CC(C3)CC(C5)C4)C6=CC=CC=C6

InChI

InChI=1S/C26H27N3O4S/c1-2-33-24(31)21-19-14-34-22(20(19)23(30)29(28-21)18-6-4-3-5-7-18)27-25(32)26-11-15-8-16(12-26)10-17(9-15)13-26/h3-7,14-17H,2,8-13H2,1H3,(H,27,32)