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

Systemtic Name: ethyl 5-ethanoyl-2-[2-(3-ethanoylpyridin-1-ium-1-yl)ethanoylamino]-4-methyl-thiophene-3-carboxylate Openeye Name: ethyl 5-acetyl-2-[[2-(3-acetylpyridin-1-ium-1-yl)acetyl]amino]-4-methyl-thiophene-3-carboxylate CAS Name: 5-acetyl-2-[[2-(3-acetyl-1-pyridin-1-iumyl)-1-oxoethyl]amino]-4-methyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-acetyl-2-[[2-(3-acetylpyridin-1-ium-1-yl)acetyl]amino]-4-methylthiophene-3-carboxylate Traditional Name: 5-acetyl-2-[[2-(3-acetylpyridin-1-ium-1-yl)acetyl]amino]-4-methyl-thiophene-3-carboxylic acid ethyl ester Formula: C19H21N2O5S+ MolecularWeight: 389.44544

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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)C(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C19H20N2O5S/c1-5-26-19(25)16-11(2)17(13(4)23)27-18(16)20-15(24)10-21-8-6-7-14(9-21)12(3)22/h6-9H,5,10H2,1-4H3/p+1