S-[(1-oxidanidylpyridin-1-ium-2-yl)methyl] ethanethioate

Systemtic Name: S-[(1-oxidanidylpyridin-1-ium-2-yl)methyl] ethanethioate Openeye Name: S-[(1-oxidopyridin-1-ium-2-yl)methyl] ethanethioate CAS Name: ethanethioic acid S-[(1-oxido-2-pyridin-1-iumyl)methyl] ester IUPAC Name: S-[(1-oxidopyridin-1-ium-2-yl)methyl] ethanethioate Traditional Name: ethanethioic acid S-[(1-oxidopyridin-1-ium-2-yl)methyl] ester Formula: C8H9NO2S MolecularWeight: 183.22756

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC1=CC=CC=[N+]1[O-]

Isomeric SMILES

CC(=O)SCC1=CC=CC=[N+]1[O-]

InChI

InChI=1S/C8H9NO2S/c1-7(10)12-6-8-4-2-3-5-9(8)11/h2-5H,6H2,1H3