(2S)-3-(1-benzofuran-2-ylcarbonyl)-2-(2,3-dimethoxyphenyl)-1-(3-imidazol-1-ylpropyl)-5-oxidanylidene-2H-pyrrol-4-olate

Systemtic Name: (2S)-3-(1-benzofuran-2-ylcarbonyl)-2-(2,3-dimethoxyphenyl)-1-(3-imidazol-1-ylpropyl)-5-oxidanylidene-2H-pyrrol-4-olate Openeye Name: (2S)-3-(benzofuran-2-carbonyl)-2-(2,3-dimethoxyphenyl)-1-(3-imidazol-1-ylpropyl)-5-oxo-2H-pyrrol-4-olate CAS Name: (2S)-3-[2-benzofuranyl(oxo)methyl]-2-(2,3-dimethoxyphenyl)-1-[3-(1-imidazolyl)propyl]-5-oxo-2H-pyrrol-4-olate IUPAC Name: (2S)-3-(1-benzofuran-2-carbonyl)-2-(2,3-dimethoxyphenyl)-1-(3-imidazol-1-ylpropyl)-5-oxo-2H-pyrrol-4-olate Traditional Name: (5S)-4-(benzofuran-2-carbonyl)-5-(2,3-dimethoxyphenyl)-1-(3-imidazol-1-ylpropyl)-2-keto-3-pyrrolin-3-olate Formula: C27H24N3O6- MolecularWeight: 486.49596

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC)C2C(=C(C(=O)N2CCCN3C=CN=C3)[O-])C(=O)C4=CC5=CC=CC=C5O4

Isomeric SMILES

COC1=CC=CC(=C1OC)[C@H]2C(=C(C(=O)N2CCCN3C=CN=C3)[O-])C(=O)C4=CC5=CC=CC=C5O4

InChI

InChI=1S/C27H25N3O6/c1-34-20-10-5-8-18(26(20)35-2)23-22(24(31)21-15-17-7-3-4-9-19(17)36-21)25(32)27(33)30(23)13-6-12-29-14-11-28-16-29/h3-5,7-11,14-16,23,32H,6,12-13H2,1-2H3/p-1/t23-/m0/s1