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

Systemtic Name: 3-(1-benzofuran-2-ylcarbonyl)-1-[3-(diethylazaniumyl)propyl]-5-oxidanylidene-2-thiophen-2-yl-2H-pyrrol-4-olate Openeye Name: 3-(benzofuran-2-carbonyl)-1-[3-(diethylammonio)propyl]-5-oxo-2-(2-thienyl)-2H-pyrrol-4-olate CAS Name: 3-[2-benzofuranyl(oxo)methyl]-1-[3-(diethylammonio)propyl]-5-oxo-2-thiophen-2-yl-2H-pyrrol-4-olate IUPAC Name: 3-(1-benzofuran-2-carbonyl)-1-[3-(diethylazaniumyl)propyl]-5-oxo-2-thiophen-2-yl-2H-pyrrol-4-olate Traditional Name: 4-(benzofuran-2-carbonyl)-1-[3-(diethylammonio)propyl]-2-keto-5-(2-thienyl)-3-pyrrolin-3-olate Formula: C24H26N2O4S MolecularWeight: 438.53924

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCCN1C(C(=C(C1=O)[O-])C(=O)C2=CC3=CC=CC=C3O2)C4=CC=CS4

Isomeric SMILES

CC[NH+](CC)CCCN1C(C(=C(C1=O)[O-])C(=O)C2=CC3=CC=CC=C3O2)C4=CC=CS4

InChI

InChI=1S/C24H26N2O4S/c1-3-25(4-2)12-8-13-26-21(19-11-7-14-31-19)20(23(28)24(26)29)22(27)18-15-16-9-5-6-10-17(16)30-18/h5-7,9-11,14-15,21,28H,3-4,8,12-13H2,1-2H3