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

Systemtic Name: ethyl 2-[2-(3-oxidanylpyridin-1-ium-1-yl)ethanoylamino]-4-thiophen-2-yl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(3-hydroxypyridin-1-ium-1-yl)acetyl]amino]-4-(2-thienyl)thiophene-3-carboxylate CAS Name: 2-[[2-(3-hydroxy-1-pyridin-1-iumyl)-1-oxoethyl]amino]-4-thiophen-2-yl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(3-hydroxypyridin-1-ium-1-yl)acetyl]amino]-4-thiophen-2-ylthiophene-3-carboxylate Traditional Name: 2-[[2-(3-hydroxypyridin-1-ium-1-yl)acetyl]amino]-4-(2-thienyl)thiophene-3-carboxylic acid ethyl ester Formula: C18H17N2O4S2+ MolecularWeight: 389.46858

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=CS2)NC(=O)C[N+]3=CC=CC(=C3)O

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=CS2)NC(=O)C[N+]3=CC=CC(=C3)O

InChI

InChI=1S/C18H16N2O4S2/c1-2-24-18(23)16-13(14-6-4-8-25-14)11-26-17(16)19-15(22)10-20-7-3-5-12(21)9-20/h3-9,11H,2,10H2,1H3,(H-,19,21,22,23)/p+1