methyl 3-[2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanylethanoylamino]benzoate

Systemtic Name: methyl 3-[2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanylethanoylamino]benzoate Openeye Name: methyl 3-[[2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetyl]amino]benzoate CAS Name: 3-[[2-[(1-oxido-2-pyridin-1-iumyl)thio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetyl]amino]benzoate Traditional Name: 3-[[2-[(1-oxidopyridin-1-ium-2-yl)thio]acetyl]amino]benzoic acid methyl ester Formula: C15H14N2O4S MolecularWeight: 318.34766

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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