(2R)-1-[3-(dimethylazaniumyl)propyl]-2-(4-fluorophenyl)-5-oxidanylidene-3-thiophen-2-ylcarbonyl-2H-pyrrol-4-olate

Systemtic Name: (2R)-1-[3-(dimethylazaniumyl)propyl]-2-(4-fluorophenyl)-5-oxidanylidene-3-thiophen-2-ylcarbonyl-2H-pyrrol-4-olate Openeye Name: (2R)-1-[3-(dimethylammonio)propyl]-2-(4-fluorophenyl)-5-oxo-3-(thiophene-2-carbonyl)-2H-pyrrol-4-olate CAS Name: (2R)-1-[3-(dimethylammonio)propyl]-2-(4-fluorophenyl)-5-oxo-3-[oxo(thiophen-2-yl)methyl]-2H-pyrrol-4-olate IUPAC Name: (2R)-1-[3-(dimethylazaniumyl)propyl]-2-(4-fluorophenyl)-5-oxo-3-(thiophene-2-carbonyl)-2H-pyrrol-4-olate Traditional Name: (5R)-1-[3-(dimethylammonio)propyl]-5-(4-fluorophenyl)-2-keto-4-(2-thenoyl)-3-pyrrolin-3-olate Formula: C20H21FN2O3S MolecularWeight: 388.455743

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCN1C(C(=C(C1=O)[O-])C(=O)C2=CC=CS2)C3=CC=C(C=C3)F

Isomeric SMILES

C[NH+](C)CCCN1[C@@H](C(=C(C1=O)[O-])C(=O)C2=CC=CS2)C3=CC=C(C=C3)F

InChI

InChI=1S/C20H21FN2O3S/c1-22(2)10-4-11-23-17(13-6-8-14(21)9-7-13)16(19(25)20(23)26)18(24)15-5-3-12-27-15/h3,5-9,12,17,25H,4,10-11H2,1-2H3/t17-/m1/s1