O4-ethyl O2-(2-methoxyethyl) 3-methyl-5-[2-(3-oxidanylpyridin-1-ium-1-yl)ethanoylamino]thiophene-2,4-dicarboxylate

Systemtic Name: O4-ethyl O2-(2-methoxyethyl) 3-methyl-5-[2-(3-oxidanylpyridin-1-ium-1-yl)ethanoylamino]thiophene-2,4-dicarboxylate Openeye Name: O4-ethyl O2-(2-methoxyethyl) 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 O4-ethyl ester O2-(2-methoxyethyl) ester IUPAC Name: 4-O-ethyl 2-O-(2-methoxyethyl) 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 O4-ethyl ester O2-(2-methoxyethyl) ester Formula: C19H23N2O7S+ MolecularWeight: 423.46012

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22N2O7S/c1-4-27-18(24)15-12(2)16(19(25)28-9-8-26-3)29-17(15)20-14(23)11-21-7-5-6-13(22)10-21/h5-7,10H,4,8-9,11H2,1-3H3,(H-,20,22,23,24,25)/p+1