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

Systemtic Name: (2S)-3-(1-benzofuran-2-ylcarbonyl)-1-[2-(diethylazaniumyl)ethyl]-5-oxidanylidene-2-thiophen-2-yl-2H-pyrrol-4-olate Openeye Name: (2S)-3-(benzofuran-2-carbonyl)-1-[2-(diethylammonio)ethyl]-5-oxo-2-(2-thienyl)-2H-pyrrol-4-olate CAS Name: (2S)-3-[2-benzofuranyl(oxo)methyl]-1-[2-(diethylammonio)ethyl]-5-oxo-2-thiophen-2-yl-2H-pyrrol-4-olate IUPAC Name: (2S)-3-(1-benzofuran-2-carbonyl)-1-[2-(diethylazaniumyl)ethyl]-5-oxo-2-thiophen-2-yl-2H-pyrrol-4-olate Traditional Name: (5S)-4-(benzofuran-2-carbonyl)-1-[2-(diethylammonio)ethyl]-2-keto-5-(2-thienyl)-3-pyrrolin-3-olate Formula: C23H24N2O4S MolecularWeight: 424.51266

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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=CS4

Isomeric SMILES

CC[NH+](CC)CCN1[C@@H](C(=C(C1=O)[O-])C(=O)C2=CC3=CC=CC=C3O2)C4=CC=CS4

InChI

InChI=1S/C23H24N2O4S/c1-3-24(4-2)11-12-25-20(18-10-7-13-30-18)19(22(27)23(25)28)21(26)17-14-15-8-5-6-9-16(15)29-17/h5-10,13-14,20,27H,3-4,11-12H2,1-2H3/t20-/m1/s1