2-[4-(dimethylazaniumyl)phenyl]-5-oxidanylidene-1-(oxolan-2-ylmethyl)-3-thiophen-2-ylcarbonyl-2H-pyrrol-4-olate

Systemtic Name: 2-[4-(dimethylazaniumyl)phenyl]-5-oxidanylidene-1-(oxolan-2-ylmethyl)-3-thiophen-2-ylcarbonyl-2H-pyrrol-4-olate Openeye Name: 2-[4-(dimethylammonio)phenyl]-5-oxo-1-(tetrahydrofuran-2-ylmethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-4-olate CAS Name: 2-[4-(dimethylammonio)phenyl]-5-oxo-1-(2-oxolanylmethyl)-3-[oxo(thiophen-2-yl)methyl]-2H-pyrrol-4-olate IUPAC Name: 2-[4-(dimethylazaniumyl)phenyl]-5-oxo-1-(oxolan-2-ylmethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-4-olate Traditional Name: 5-[4-(dimethylammonio)phenyl]-2-keto-1-(tetrahydrofurfuryl)-4-(2-thenoyl)-3-pyrrolin-3-olate Formula: C22H24N2O4S MolecularWeight: 412.50196

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C1=CC=C(C=C1)C2C(=C(C(=O)N2CC3CCCO3)[O-])C(=O)C4=CC=CS4

Isomeric SMILES

C[NH+](C)C1=CC=C(C=C1)C2C(=C(C(=O)N2CC3CCCO3)[O-])C(=O)C4=CC=CS4

InChI

InChI=1S/C22H24N2O4S/c1-23(2)15-9-7-14(8-10-15)19-18(20(25)17-6-4-12-29-17)21(26)22(27)24(19)13-16-5-3-11-28-16/h4,6-10,12,16,19,26H,3,5,11,13H2,1-2H3