diethyl 5-azanyl-3-[(1-oxidanidylpyridin-1-ium-4-yl)carbonyloxymethyl]thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 5-azanyl-3-[(1-oxidanidylpyridin-1-ium-4-yl)carbonyloxymethyl]thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-amino-3-[(1-oxidopyridin-1-ium-4-carbonyl)oxymethyl]thiophene-2,4-dicarboxylate CAS Name: 5-amino-3-[[(1-oxido-4-pyridin-1-iumyl)-oxomethoxy]methyl]thiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-amino-3-[(1-oxidopyridin-1-ium-4-carbonyl)oxymethyl]thiophene-2,4-dicarboxylate Traditional Name: 5-amino-3-[(1-oxidopyridin-1-ium-4-carbonyl)oxymethyl]thiophene-2,4-dicarboxylic acid diethyl ester Formula: C17H18N2O7S MolecularWeight: 394.39902

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1COC(=O)C2=CC=[N+](C=C2)[O-])C(=O)OCC)N

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1COC(=O)C2=CC=[N+](C=C2)[O-])C(=O)OCC)N

InChI

InChI=1S/C17H18N2O7S/c1-3-24-16(21)12-11(13(27-14(12)18)17(22)25-4-2)9-26-15(20)10-5-7-19(23)8-6-10/h5-8H,3-4,9,18H2,1-2H3