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

Systemtic Name: (2S)-1-[2-(diethylazaniumyl)ethyl]-3-(furan-2-ylcarbonyl)-5-oxidanylidene-2-thiophen-2-yl-2H-pyrrol-4-olate Openeye Name: (2S)-1-[2-(diethylammonio)ethyl]-3-(furan-2-carbonyl)-5-oxo-2-(2-thienyl)-2H-pyrrol-4-olate CAS Name: (2S)-1-[2-(diethylammonio)ethyl]-3-[2-furanyl(oxo)methyl]-5-oxo-2-thiophen-2-yl-2H-pyrrol-4-olate IUPAC Name: (2S)-1-[2-(diethylazaniumyl)ethyl]-3-(furan-2-carbonyl)-5-oxo-2-thiophen-2-yl-2H-pyrrol-4-olate Traditional Name: (5S)-1-[2-(diethylammonio)ethyl]-4-(2-furoyl)-2-keto-5-(2-thienyl)-3-pyrrolin-3-olate Formula: C19H22N2O4S MolecularWeight: 374.45398

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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=CS3

Isomeric SMILES

CC[NH+](CC)CCN1[C@@H](C(=C(C1=O)[O-])C(=O)C2=CC=CO2)C3=CC=CS3

InChI

InChI=1S/C19H22N2O4S/c1-3-20(4-2)9-10-21-16(14-8-6-12-26-14)15(18(23)19(21)24)17(22)13-7-5-11-25-13/h5-8,11-12,16,23H,3-4,9-10H2,1-2H3/t16-/m1/s1