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

Systemtic Name: (2R)-2-(3,4-diethoxyphenyl)-1-[3-(dimethylazaniumyl)propyl]-5-oxidanylidene-3-thiophen-2-ylcarbonyl-2H-pyrrol-4-olate Openeye Name: (2R)-2-(3,4-diethoxyphenyl)-1-[3-(dimethylammonio)propyl]-5-oxo-3-(thiophene-2-carbonyl)-2H-pyrrol-4-olate CAS Name: (2R)-2-(3,4-diethoxyphenyl)-1-[3-(dimethylammonio)propyl]-5-oxo-3-[oxo(thiophen-2-yl)methyl]-2H-pyrrol-4-olate IUPAC Name: (2R)-2-(3,4-diethoxyphenyl)-1-[3-(dimethylazaniumyl)propyl]-5-oxo-3-(thiophene-2-carbonyl)-2H-pyrrol-4-olate Traditional Name: (5R)-5-(3,4-diethoxyphenyl)-1-[3-(dimethylammonio)propyl]-2-keto-4-(2-thenoyl)-3-pyrrolin-3-olate Formula: C24H30N2O5S MolecularWeight: 458.5704

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H30N2O5S/c1-5-30-17-11-10-16(15-18(17)31-6-2)21-20(22(27)19-9-7-14-32-19)23(28)24(29)26(21)13-8-12-25(3)4/h7,9-11,14-15,21,28H,5-6,8,12-13H2,1-4H3/t21-/m1/s1