dimethyl 3-methyl-5-[2-(1-oxidanidylpyridin-1-ium-4-yl)carbonyloxyethanoylamino]thiophene-2,4-dicarboxylate

Systemtic Name: dimethyl 3-methyl-5-[2-(1-oxidanidylpyridin-1-ium-4-yl)carbonyloxyethanoylamino]thiophene-2,4-dicarboxylate Openeye Name: dimethyl 3-methyl-5-[[2-(1-oxidopyridin-1-ium-4-carbonyl)oxyacetyl]amino]thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[2-[(1-oxido-4-pyridin-1-iumyl)-oxomethoxy]-1-oxoethyl]amino]thiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 3-methyl-5-[[2-(1-oxidopyridin-1-ium-4-carbonyl)oxyacetyl]amino]thiophene-2,4-dicarboxylate Traditional Name: 3-methyl-5-[[2-(1-oxidopyridin-1-ium-4-carbonyl)oxyacetyl]amino]thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C17H16N2O8S MolecularWeight: 408.38254

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=O)COC(=O)C2=CC=[N+](C=C2)[O-])C(=O)OC

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=O)COC(=O)C2=CC=[N+](C=C2)[O-])C(=O)OC

InChI

InChI=1S/C17H16N2O8S/c1-9-12(16(22)25-2)14(28-13(9)17(23)26-3)18-11(20)8-27-15(21)10-4-6-19(24)7-5-10/h4-7H,8H2,1-3H3,(H,18,20)