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

Systemtic Name: (2R)-1-[3-(dimethylazaniumyl)propyl]-2-(3-ethoxyphenyl)-5-oxidanylidene-3-thiophen-2-ylcarbonyl-2H-pyrrol-4-olate Openeye Name: (2R)-1-[3-(dimethylammonio)propyl]-2-(3-ethoxyphenyl)-5-oxo-3-(thiophene-2-carbonyl)-2H-pyrrol-4-olate CAS Name: (2R)-1-[3-(dimethylammonio)propyl]-2-(3-ethoxyphenyl)-5-oxo-3-[oxo(thiophen-2-yl)methyl]-2H-pyrrol-4-olate IUPAC Name: (2R)-1-[3-(dimethylazaniumyl)propyl]-2-(3-ethoxyphenyl)-5-oxo-3-(thiophene-2-carbonyl)-2H-pyrrol-4-olate Traditional Name: (5R)-1-[3-(dimethylammonio)propyl]-2-keto-5-m-phenetyl-4-(2-thenoyl)-3-pyrrolin-3-olate Formula: C22H26N2O4S MolecularWeight: 414.51784

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)C2C(=C(C(=O)N2CCC[NH+](C)C)[O-])C(=O)C3=CC=CS3

Isomeric SMILES

CCOC1=CC=CC(=C1)[C@@H]2C(=C(C(=O)N2CCC[NH+](C)C)[O-])C(=O)C3=CC=CS3

InChI

InChI=1S/C22H26N2O4S/c1-4-28-16-9-5-8-15(14-16)19-18(20(25)17-10-6-13-29-17)21(26)22(27)24(19)12-7-11-23(2)3/h5-6,8-10,13-14,19,26H,4,7,11-12H2,1-3H3/t19-/m1/s1