(2S)-3-(1-benzofuran-2-ylcarbonyl)-1-[2-(diethylazaniumyl)ethyl]-5-oxidanylidene-2-pyridin-2-yl-2H-pyrrol-4-olate

Systemtic Name: (2S)-3-(1-benzofuran-2-ylcarbonyl)-1-[2-(diethylazaniumyl)ethyl]-5-oxidanylidene-2-pyridin-2-yl-2H-pyrrol-4-olate Openeye Name: (2S)-3-(benzofuran-2-carbonyl)-1-[2-(diethylammonio)ethyl]-5-oxo-2-(2-pyridyl)-2H-pyrrol-4-olate CAS Name: (2S)-3-[2-benzofuranyl(oxo)methyl]-1-[2-(diethylammonio)ethyl]-5-oxo-2-(2-pyridinyl)-2H-pyrrol-4-olate IUPAC Name: (2S)-3-(1-benzofuran-2-carbonyl)-1-[2-(diethylazaniumyl)ethyl]-5-oxo-2-pyridin-2-yl-2H-pyrrol-4-olate Traditional Name: (5S)-4-(benzofuran-2-carbonyl)-1-[2-(diethylammonio)ethyl]-2-keto-5-(2-pyridyl)-3-pyrrolin-3-olate Formula: C24H25N3O4 MolecularWeight: 419.473

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCN1C(C(=C(C1=O)[O-])C(=O)C2=CC3=CC=CC=C3O2)C4=CC=CC=N4

Isomeric SMILES

CC[NH+](CC)CCN1[C@@H](C(=C(C1=O)[O-])C(=O)C2=CC3=CC=CC=C3O2)C4=CC=CC=N4

InChI

InChI=1S/C24H25N3O4/c1-3-26(4-2)13-14-27-21(17-10-7-8-12-25-17)20(23(29)24(27)30)22(28)19-15-16-9-5-6-11-18(16)31-19/h5-12,15,21,29H,3-4,13-14H2,1-2H3/t21-/m1/s1