ethyl 5-ethanoyl-4-methyl-2-[2-(3-oxidanylpyridin-1-ium-1-yl)ethanoylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 5-ethanoyl-4-methyl-2-[2-(3-oxidanylpyridin-1-ium-1-yl)ethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 5-acetyl-2-[[2-(3-hydroxypyridin-1-ium-1-yl)acetyl]amino]-4-methyl-thiophene-3-carboxylate CAS Name: 5-acetyl-2-[[2-(3-hydroxy-1-pyridin-1-iumyl)-1-oxoethyl]amino]-4-methyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-acetyl-2-[[2-(3-hydroxypyridin-1-ium-1-yl)acetyl]amino]-4-methylthiophene-3-carboxylate Traditional Name: 5-acetyl-2-[[2-(3-hydroxypyridin-1-ium-1-yl)acetyl]amino]-4-methyl-thiophene-3-carboxylic acid ethyl ester Formula: C17H19N2O5S+ MolecularWeight: 363.40816

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N2O5S/c1-4-24-17(23)14-10(2)15(11(3)20)25-16(14)18-13(22)9-19-7-5-6-12(21)8-19/h5-8H,4,9H2,1-3H3,(H-,18,20,21,22,23)/p+1