ethyl (2S)-2-azanyl-2-[3,4-bis(4-chlorophenyl)-5-ethanoyl-6-oxidanylidene-pyridazin-1-yl]ethanoate

Systemtic Name: ethyl (2S)-2-azanyl-2-[3,4-bis(4-chlorophenyl)-5-ethanoyl-6-oxidanylidene-pyridazin-1-yl]ethanoate Openeye Name: ethyl (2S)-2-[5-acetyl-3,4-bis(4-chlorophenyl)-6-oxo-pyridazin-1-yl]-2-amino-acetate CAS Name: (2S)-2-[5-acetyl-3,4-bis(4-chlorophenyl)-6-oxo-1-pyridazinyl]-2-aminoacetic acid ethyl ester IUPAC Name: ethyl (2S)-2-[5-acetyl-3,4-bis(4-chlorophenyl)-6-oxopyridazin-1-yl]-2-aminoacetate Traditional Name: (2S)-2-[5-acetyl-3,4-bis(4-chlorophenyl)-6-keto-pyridazin-1-yl]-2-amino-acetic acid ethyl ester Formula: C22H19Cl2N3O4 MolecularWeight: 460.30996

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(N)N1C(=O)C(=C(C(=N1)C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)Cl)C(=O)C

Isomeric SMILES

CCOC(=O)[C@@H](N)N1C(=O)C(=C(C(=N1)C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)Cl)C(=O)C

InChI

InChI=1S/C22H19Cl2N3O4/c1-3-31-22(30)20(25)27-21(29)17(12(2)28)18(13-4-8-15(23)9-5-13)19(26-27)14-6-10-16(24)11-7-14/h4-11,20H,3,25H2,1-2H3/t20-/m0/s1