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

Systemtic Name: ethyl 3-(4-chlorophenyl)-5-(2-naphthalen-1-ylethanoylamino)-4-oxidanylidene-thieno[3,4-d]pyridazine-1-carboxylate Openeye Name: ethyl 3-(4-chlorophenyl)-5-[[2-(1-naphthyl)acetyl]amino]-4-oxo-thieno[3,4-d]pyridazine-1-carboxylate CAS Name: 3-(4-chlorophenyl)-5-[[2-(1-naphthalenyl)-1-oxoethyl]amino]-4-oxo-1-thieno[3,4-d]pyridazinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-(4-chlorophenyl)-5-[(2-naphthalen-1-ylacetyl)amino]-4-oxothieno[3,4-d]pyridazine-1-carboxylate Traditional Name: 3-(4-chlorophenyl)-4-keto-5-[[2-(1-naphthyl)acetyl]amino]thieno[3,4-d]pyridazine-1-carboxylic acid ethyl ester Formula: C27H20ClN3O4S MolecularWeight: 517.9834

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(=O)C2=C(SC=C21)NC(=O)CC3=CC=CC4=CC=CC=C43)C5=CC=C(C=C5)Cl

Isomeric SMILES

CCOC(=O)C1=NN(C(=O)C2=C(SC=C21)NC(=O)CC3=CC=CC4=CC=CC=C43)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C27H20ClN3O4S/c1-2-35-27(34)24-21-15-36-25(23(21)26(33)31(30-24)19-12-10-18(28)11-13-19)29-22(32)14-17-8-5-7-16-6-3-4-9-20(16)17/h3-13,15H,2,14H2,1H3,(H,29,32)