O4-ethyl O2-(2-methoxyethyl) 3-methyl-5-[2-(3-methylpyridin-1-ium-1-yl)ethanoylamino]thiophene-2,4-dicarboxylate

Systemtic Name: O4-ethyl O2-(2-methoxyethyl) 3-methyl-5-[2-(3-methylpyridin-1-ium-1-yl)ethanoylamino]thiophene-2,4-dicarboxylate Openeye Name: O4-ethyl O2-(2-methoxyethyl) 3-methyl-5-[[2-(3-methylpyridin-1-ium-1-yl)acetyl]amino]thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[2-(3-methyl-1-pyridin-1-iumyl)-1-oxoethyl]amino]thiophene-2,4-dicarboxylic acid O4-ethyl ester O2-(2-methoxyethyl) ester IUPAC Name: 4-O-ethyl 2-O-(2-methoxyethyl) 3-methyl-5-[[2-(3-methylpyridin-1-ium-1-yl)acetyl]amino]thiophene-2,4-dicarboxylate Traditional Name: 3-methyl-5-[[2-(3-methylpyridin-1-ium-1-yl)acetyl]amino]thiophene-2,4-dicarboxylic acid O4-ethyl ester O2-(2-methoxyethyl) ester Formula: C20H25N2O6S+ MolecularWeight: 421.4873

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCCOC)NC(=O)C[N+]2=CC=CC(=C2)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCCOC)NC(=O)C[N+]2=CC=CC(=C2)C

InChI

InChI=1S/C20H24N2O6S/c1-5-27-19(24)16-14(3)17(20(25)28-10-9-26-4)29-18(16)21-15(23)12-22-8-6-7-13(2)11-22/h6-8,11H,5,9-10,12H2,1-4H3/p+1