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

Systemtic Name: (2S)-1-[2-(diethylazaniumyl)ethyl]-3-(furan-2-ylcarbonyl)-5-oxidanylidene-2-pyridin-2-yl-2H-pyrrol-4-olate Openeye Name: (2S)-1-[2-(diethylammonio)ethyl]-3-(furan-2-carbonyl)-5-oxo-2-(2-pyridyl)-2H-pyrrol-4-olate CAS Name: (2S)-1-[2-(diethylammonio)ethyl]-3-[2-furanyl(oxo)methyl]-5-oxo-2-(2-pyridinyl)-2H-pyrrol-4-olate IUPAC Name: (2S)-1-[2-(diethylazaniumyl)ethyl]-3-(furan-2-carbonyl)-5-oxo-2-pyridin-2-yl-2H-pyrrol-4-olate Traditional Name: (5S)-1-[2-(diethylammonio)ethyl]-4-(2-furoyl)-2-keto-5-(2-pyridyl)-3-pyrrolin-3-olate Formula: C20H23N3O4 MolecularWeight: 369.41432

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCN1C(C(=C(C1=O)[O-])C(=O)C2=CC=CO2)C3=CC=CC=N3

Isomeric SMILES

CC[NH+](CC)CCN1[C@@H](C(=C(C1=O)[O-])C(=O)C2=CC=CO2)C3=CC=CC=N3

InChI

InChI=1S/C20H23N3O4/c1-3-22(4-2)11-12-23-17(14-8-5-6-10-21-14)16(19(25)20(23)26)18(24)15-9-7-13-27-15/h5-10,13,17,25H,3-4,11-12H2,1-2H3/t17-/m1/s1