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

Systemtic Name: ethyl 4-ethanoyl-5-methyl-2-[2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanylethanoylamino]furan-3-carboxylate Openeye Name: ethyl 4-acetyl-5-methyl-2-[[2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetyl]amino]furan-3-carboxylate CAS Name: 4-acetyl-5-methyl-2-[[2-[(1-oxido-2-pyridin-1-iumyl)thio]-1-oxoethyl]amino]-3-furancarboxylic acid ethyl ester IUPAC Name: ethyl 4-acetyl-5-methyl-2-[[2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetyl]amino]furan-3-carboxylate Traditional Name: 4-acetyl-5-methyl-2-[[2-[(1-oxidopyridin-1-ium-2-yl)thio]acetyl]amino]furan-3-carboxylic acid ethyl ester Formula: C17H18N2O6S MolecularWeight: 378.39962

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N2O6S/c1-4-24-17(22)15-14(10(2)20)11(3)25-16(15)18-12(21)9-26-13-7-5-6-8-19(13)23/h5-8H,4,9H2,1-3H3,(H,18,21)