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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)C2C(=C(C(=O)N2CC[NH+](C)C)[O-])C(=O)C3=CC=CS3

Isomeric SMILES

CCOC1=CC=CC(=C1)[C@@H]2C(=C(C(=O)N2CC[NH+](C)C)[O-])C(=O)C3=CC=CS3

InChI

InChI=1S/C21H24N2O4S/c1-4-27-15-8-5-7-14(13-15)18-17(19(24)16-9-6-12-28-16)20(25)21(26)23(18)11-10-22(2)3/h5-9,12-13,18,25H,4,10-11H2,1-3H3/t18-/m1/s1