(2S)-3-ethanoyl-1-[2-(1H-imidazol-5-yl)ethyl]-2-(3-methoxyphenyl)-5-oxidanylidene-2H-pyrrol-4-olate

Systemtic Name: (2S)-3-ethanoyl-1-[2-(1H-imidazol-5-yl)ethyl]-2-(3-methoxyphenyl)-5-oxidanylidene-2H-pyrrol-4-olate Openeye Name: (2S)-3-acetyl-1-[2-(1H-imidazol-5-yl)ethyl]-2-(3-methoxyphenyl)-5-oxo-2H-pyrrol-4-olate CAS Name: (2S)-3-acetyl-1-[2-(1H-imidazol-5-yl)ethyl]-2-(3-methoxyphenyl)-5-oxo-2H-pyrrol-4-olate IUPAC Name: (2S)-3-acetyl-1-[2-(1H-imidazol-5-yl)ethyl]-2-(3-methoxyphenyl)-5-oxo-2H-pyrrol-4-olate Traditional Name: (5S)-4-acetyl-1-[2-(1H-imidazol-5-yl)ethyl]-2-keto-5-(3-methoxyphenyl)-3-pyrrolin-3-olate Formula: C18H18N3O4- MolecularWeight: 340.35322

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(C(=O)N(C1C2=CC(=CC=C2)OC)CCC3=CN=CN3)[O-]

Isomeric SMILES

CC(=O)C1=C(C(=O)N([C@H]1C2=CC(=CC=C2)OC)CCC3=CN=CN3)[O-]

InChI

InChI=1S/C18H19N3O4/c1-11(22)15-16(12-4-3-5-14(8-12)25-2)21(18(24)17(15)23)7-6-13-9-19-10-20-13/h3-5,8-10,16,23H,6-7H2,1-2H3,(H,19,20)/p-1/t16-/m0/s1