ethyl 4-ethanoyl-5-methyl-2-[2-[2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanylethanoyloxy]ethanoylamino]furan-3-carboxylate

Systemtic Name: ethyl 4-ethanoyl-5-methyl-2-[2-[2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanylethanoyloxy]ethanoylamino]furan-3-carboxylate Openeye Name: ethyl 4-acetyl-5-methyl-2-[[2-[2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetyl]oxyacetyl]amino]furan-3-carboxylate CAS Name: 4-acetyl-5-methyl-2-[[2-[2-[(1-oxido-2-pyridin-1-iumyl)thio]-1-oxoethoxy]-1-oxoethyl]amino]-3-furancarboxylic acid ethyl ester IUPAC Name: ethyl 4-acetyl-5-methyl-2-[[2-[2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetyl]oxyacetyl]amino]furan-3-carboxylate Traditional Name: 4-acetyl-5-methyl-2-[[2-[2-[(1-oxidopyridin-1-ium-2-yl)thio]acetyl]oxyacetyl]amino]furan-3-carboxylic acid ethyl ester Formula: C19H20N2O8S MolecularWeight: 436.4357

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC(=C1C(=O)C)C)NC(=O)COC(=O)CSC2=CC=CC=[N+]2[O-]

Isomeric SMILES

CCOC(=O)C1=C(OC(=C1C(=O)C)C)NC(=O)COC(=O)CSC2=CC=CC=[N+]2[O-]

InChI

InChI=1S/C19H20N2O8S/c1-4-27-19(25)17-16(11(2)22)12(3)29-18(17)20-13(23)9-28-15(24)10-30-14-7-5-6-8-21(14)26/h5-8H,4,9-10H2,1-3H3,(H,20,23)