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

Systemtic Name: (2R)-1-[3-(dimethylazaniumyl)propyl]-2-(3-methoxyphenyl)-5-oxidanylidene-3-thiophen-2-ylcarbonyl-2H-pyrrol-4-olate Openeye Name: (2R)-1-[3-(dimethylammonio)propyl]-2-(3-methoxyphenyl)-5-oxo-3-(thiophene-2-carbonyl)-2H-pyrrol-4-olate CAS Name: (2R)-1-[3-(dimethylammonio)propyl]-2-(3-methoxyphenyl)-5-oxo-3-[oxo(thiophen-2-yl)methyl]-2H-pyrrol-4-olate IUPAC Name: (2R)-1-[3-(dimethylazaniumyl)propyl]-2-(3-methoxyphenyl)-5-oxo-3-(thiophene-2-carbonyl)-2H-pyrrol-4-olate Traditional Name: (5R)-1-[3-(dimethylammonio)propyl]-2-keto-5-(3-methoxyphenyl)-4-(2-thenoyl)-3-pyrrolin-3-olate Formula: C21H24N2O4S MolecularWeight: 400.49126

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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(=CC=C3)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O4S/c1-22(2)10-6-11-23-18(14-7-4-8-15(13-14)27-3)17(20(25)21(23)26)19(24)16-9-5-12-28-16/h4-5,7-9,12-13,18,25H,6,10-11H2,1-3H3/t18-/m1/s1