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

Systemtic Name: ethyl 5-ethanoyl-4-methyl-2-[2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanylethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 5-acetyl-4-methyl-2-[[2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetyl]amino]thiophene-3-carboxylate CAS Name: 5-acetyl-4-methyl-2-[[2-[(1-oxido-2-pyridin-1-iumyl)thio]-1-oxoethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-acetyl-4-methyl-2-[[2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetyl]amino]thiophene-3-carboxylate Traditional Name: 5-acetyl-4-methyl-2-[[2-[(1-oxidopyridin-1-ium-2-yl)thio]acetyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C17H18N2O5S2 MolecularWeight: 394.46522

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N2O5S2/c1-4-24-17(22)14-10(2)15(11(3)20)26-16(14)18-12(21)9-25-13-7-5-6-8-19(13)23/h5-8H,4,9H2,1-3H3,(H,18,21)