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

Systemtic Name: dimethyl 5-azanyl-3-[(1-oxidanidylpyridin-1-ium-4-yl)carbonyloxymethyl]thiophene-2,4-dicarboxylate Openeye Name: dimethyl 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 dimethyl ester IUPAC Name: dimethyl 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 dimethyl ester Formula: C15H14N2O7S MolecularWeight: 366.34586

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC(=C1COC(=O)C2=CC=[N+](C=C2)[O-])C(=O)OC)N

Isomeric SMILES

COC(=O)C1=C(SC(=C1COC(=O)C2=CC=[N+](C=C2)[O-])C(=O)OC)N

InChI

InChI=1S/C15H14N2O7S/c1-22-14(19)10-9(11(15(20)23-2)25-12(10)16)7-24-13(18)8-3-5-17(21)6-4-8/h3-6H,7,16H2,1-2H3