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

Systemtic Name: ethyl 3-(4-chlorophenyl)-5-(2,2-diphenylethanoylamino)-4-oxidanylidene-thieno[3,4-d]pyridazine-1-carboxylate Openeye Name: ethyl 3-(4-chlorophenyl)-5-[(2,2-diphenylacetyl)amino]-4-oxo-thieno[3,4-d]pyridazine-1-carboxylate CAS Name: 3-(4-chlorophenyl)-4-oxo-5-[(1-oxo-2,2-diphenylethyl)amino]-1-thieno[3,4-d]pyridazinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-(4-chlorophenyl)-5-[(2,2-diphenylacetyl)amino]-4-oxothieno[3,4-d]pyridazine-1-carboxylate Traditional Name: 3-(4-chlorophenyl)-5-[(2,2-diphenylacetyl)amino]-4-keto-thieno[3,4-d]pyridazine-1-carboxylic acid ethyl ester Formula: C29H22ClN3O4S MolecularWeight: 544.02068

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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=C(C=C5)Cl

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=C(C=C5)Cl

InChI

InChI=1S/C29H22ClN3O4S/c1-2-37-29(36)25-22-17-38-27(24(22)28(35)33(32-25)21-15-13-20(30)14-16-21)31-26(34)23(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-17,23H,2H2,1H3,(H,31,34)