dimethyl 5-[2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanylethanoylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanylethanoylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetyl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[2-[(1-oxido-2-pyridin-1-iumyl)thio]-1-oxoethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetyl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[2-[(1-oxidopyridin-1-ium-2-yl)thio]acetyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C17H16N2O6S MolecularWeight: 376.38374

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16N2O6S/c1-24-16(21)11-7-12(17(22)25-2)9-13(8-11)18-14(20)10-26-15-5-3-4-6-19(15)23/h3-9H,10H2,1-2H3,(H,18,20)