methyl 4-[2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanylethanoylamino]benzoate

Systemtic Name: methyl 4-[2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanylethanoylamino]benzoate Openeye Name: methyl 4-[[2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetyl]amino]benzoate CAS Name: 4-[[2-[(1-oxido-2-pyridin-1-iumyl)thio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[(1-oxidopyridin-1-ium-2-yl)thio]acetyl]amino]benzoic acid methyl ester Formula: C15H14N2O4S MolecularWeight: 318.34766

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H14N2O4S/c1-21-15(19)11-5-7-12(8-6-11)16-13(18)10-22-14-4-2-3-9-17(14)20/h2-9H,10H2,1H3,(H,16,18)