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

Systemtic Name: diethyl 5-[2-(2,3-dimethylpyridin-1-ium-1-yl)ethanoylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-[[2-(2,3-dimethylpyridin-1-ium-1-yl)acetyl]amino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[2-(2,3-dimethyl-1-pyridin-1-iumyl)-1-oxoethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[[2-(2,3-dimethylpyridin-1-ium-1-yl)acetyl]amino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[[2-(2,3-dimethylpyridin-1-ium-1-yl)acetyl]amino]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C20H25N2O5S+ MolecularWeight: 405.4879

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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(=C2C)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)C[N+]2=CC=CC(=C2C)C

InChI

InChI=1S/C20H24N2O5S/c1-6-26-19(24)16-13(4)17(20(25)27-7-2)28-18(16)21-15(23)11-22-10-8-9-12(3)14(22)5/h8-10H,6-7,11H2,1-5H3/p+1