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

Systemtic Name: diethyl 3-methyl-5-[2-(4-methylpyridin-1-ium-1-yl)ethanoylamino]thiophene-2,4-dicarboxylate Openeye Name: diethyl 3-methyl-5-[[2-(4-methylpyridin-1-ium-1-yl)acetyl]amino]thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[2-(4-methyl-1-pyridin-1-iumyl)-1-oxoethyl]amino]thiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 3-methyl-5-[[2-(4-methylpyridin-1-ium-1-yl)acetyl]amino]thiophene-2,4-dicarboxylate Traditional Name: 3-methyl-5-[[2-(4-methylpyridin-1-ium-1-yl)acetyl]amino]thiophene-2,4-dicarboxylic acid diethyl ester Formula: C19H23N2O5S+ MolecularWeight: 391.46132

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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=C(C=C2)C

Isomeric SMILES

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

InChI

InChI=1S/C19H22N2O5S/c1-5-25-18(23)15-13(4)16(19(24)26-6-2)27-17(15)20-14(22)11-21-9-7-12(3)8-10-21/h7-10H,5-6,11H2,1-4H3/p+1