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

Systemtic Name: ethyl 2-[2-(3-ethanoylpyridin-1-ium-1-yl)ethanoylamino]-4-methyl-5-(methylcarbamoyl)thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(3-acetylpyridin-1-ium-1-yl)acetyl]amino]-4-methyl-5-(methylcarbamoyl)thiophene-3-carboxylate CAS Name: 2-[[2-(3-acetyl-1-pyridin-1-iumyl)-1-oxoethyl]amino]-4-methyl-5-(methylcarbamoyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(3-acetylpyridin-1-ium-1-yl)acetyl]amino]-4-methyl-5-(methylcarbamoyl)thiophene-3-carboxylate Traditional Name: 2-[[2-(3-acetylpyridin-1-ium-1-yl)acetyl]amino]-4-methyl-5-(methylcarbamoyl)thiophene-3-carboxylic acid ethyl ester Formula: C19H22N3O5S+ MolecularWeight: 404.46008

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21N3O5S/c1-5-27-19(26)15-11(2)16(17(25)20-4)28-18(15)21-14(24)10-22-8-6-7-13(9-22)12(3)23/h6-9H,5,10H2,1-4H3,(H-,20,21,24,25,26)/p+1