diethyl 5-[2-(3-ethanoylpyridin-1-ium-1-yl)ethanoylamino]-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 5-[2-(3-ethanoylpyridin-1-ium-1-yl)ethanoylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-[[2-(3-acetylpyridin-1-ium-1-yl)acetyl]amino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[2-(3-acetyl-1-pyridin-1-iumyl)-1-oxoethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[[2-(3-acetylpyridin-1-ium-1-yl)acetyl]amino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[[2-(3-acetylpyridin-1-ium-1-yl)acetyl]amino]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C20H23N2O6S+ MolecularWeight: 419.47142

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O6S/c1-5-27-19(25)16-12(3)17(20(26)28-6-2)29-18(16)21-15(24)11-22-9-7-8-14(10-22)13(4)23/h7-10H,5-6,11H2,1-4H3/p+1