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

Systemtic Name: ethyl 5-[2-(4-chlorophenyl)ethanoylamino]-4-oxidanylidene-3-phenyl-thieno[3,4-d]pyridazine-1-carboxylate Openeye Name: ethyl 5-[[2-(4-chlorophenyl)acetyl]amino]-4-oxo-3-phenyl-thieno[3,4-d]pyridazine-1-carboxylate CAS Name: 5-[[2-(4-chlorophenyl)-1-oxoethyl]amino]-4-oxo-3-phenyl-1-thieno[3,4-d]pyridazinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[[2-(4-chlorophenyl)acetyl]amino]-4-oxo-3-phenylthieno[3,4-d]pyridazine-1-carboxylate Traditional Name: 5-[[2-(4-chlorophenyl)acetyl]amino]-4-keto-3-phenyl-thieno[3,4-d]pyridazine-1-carboxylic acid ethyl ester Formula: C23H18ClN3O4S MolecularWeight: 467.92472

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(=O)C2=C(SC=C21)NC(=O)CC3=CC=C(C=C3)Cl)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=NN(C(=O)C2=C(SC=C21)NC(=O)CC3=CC=C(C=C3)Cl)C4=CC=CC=C4

InChI

InChI=1S/C23H18ClN3O4S/c1-2-31-23(30)20-17-13-32-21(25-18(28)12-14-8-10-15(24)11-9-14)19(17)22(29)27(26-20)16-6-4-3-5-7-16/h3-11,13H,2,12H2,1H3,(H,25,28)