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

Systemtic Name: methyl 4-[(1-oxidanidylpyridin-1-ium-2-yl)sulfanylmethyl]benzoate Openeye Name: methyl 4-[(1-oxidopyridin-1-ium-2-yl)sulfanylmethyl]benzoate CAS Name: 4-[[(1-oxido-2-pyridin-1-iumyl)thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(1-oxidopyridin-1-ium-2-yl)sulfanylmethyl]benzoate Traditional Name: 4-[[(1-oxidopyridin-1-ium-2-yl)thio]methyl]benzoic acid methyl ester Formula: C14H13NO3S MolecularWeight: 275.32292

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13NO3S/c1-18-14(16)12-7-5-11(6-8-12)10-19-13-4-2-3-9-15(13)17/h2-9H,10H2,1H3