propan-2-yl 2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanylethanoate

Systemtic Name: propan-2-yl 2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanylethanoate Openeye Name: isopropyl 2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetate CAS Name: 2-[(1-oxido-2-pyridin-1-iumyl)thio]acetic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetate Traditional Name: 2-[(1-oxidopyridin-1-ium-2-yl)thio]acetic acid isopropyl ester Formula: C10H13NO3S MolecularWeight: 227.28012

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)CSC1=CC=CC=[N+]1[O-]

Isomeric SMILES

CC(C)OC(=O)CSC1=CC=CC=[N+]1[O-]

InChI

InChI=1S/C10H13NO3S/c1-8(2)14-10(12)7-15-9-5-3-4-6-11(9)13/h3-6,8H,7H2,1-2H3