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

Systemtic Name: diethyl 3-methyl-5-[2-(3-oxidanylpyridin-1-ium-1-yl)ethanoylamino]thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-[[2-(3-hydroxypyridin-1-ium-1-yl)acetyl]amino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[2-(3-hydroxy-1-pyridin-1-iumyl)-1-oxoethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[[2-(3-hydroxypyridin-1-ium-1-yl)acetyl]amino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[[2-(3-hydroxypyridin-1-ium-1-yl)acetyl]amino]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C18H21N2O6S+ MolecularWeight: 393.43414

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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)O

Isomeric SMILES

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

InChI

InChI=1S/C18H20N2O6S/c1-4-25-17(23)14-11(3)15(18(24)26-5-2)27-16(14)19-13(22)10-20-8-6-7-12(21)9-20/h6-9H,4-5,10H2,1-3H3,(H-,19,21,22,23,24)/p+1