ethyl 5-(2,2-diphenylethanoylamino)-4-oxidanylidene-3-phenyl-thieno[3,4-d]pyridazine-1-carboxylate

Systemtic Name: ethyl 5-(2,2-diphenylethanoylamino)-4-oxidanylidene-3-phenyl-thieno[3,4-d]pyridazine-1-carboxylate Openeye Name: ethyl 5-[(2,2-diphenylacetyl)amino]-4-oxo-3-phenyl-thieno[3,4-d]pyridazine-1-carboxylate CAS Name: 4-oxo-5-[(1-oxo-2,2-diphenylethyl)amino]-3-phenyl-1-thieno[3,4-d]pyridazinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[(2,2-diphenylacetyl)amino]-4-oxo-3-phenylthieno[3,4-d]pyridazine-1-carboxylate Traditional Name: 5-[(2,2-diphenylacetyl)amino]-4-keto-3-phenyl-thieno[3,4-d]pyridazine-1-carboxylic acid ethyl ester Formula: C29H23N3O4S MolecularWeight: 509.57562

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H23N3O4S/c1-2-36-29(35)25-22-18-37-27(24(22)28(34)32(31-25)21-16-10-5-11-17-21)30-26(33)23(19-12-6-3-7-13-19)20-14-8-4-9-15-20/h3-18,23H,2H2,1H3,(H,30,33)