S-[[(1R,2R)-1-oxidanylidene-2-pyridin-3-yl-thian-2-yl]methyl] ethanethioate

Systemtic Name: S-[[(1R,2R)-1-oxidanylidene-2-pyridin-3-yl-thian-2-yl]methyl] ethanethioate Openeye Name: S-[[(1R,2R)-1-oxo-2-(3-pyridyl)thian-2-yl]methyl] ethanethioate CAS Name: ethanethioic acid S-[[(1R,2R)-1-oxo-2-(3-pyridinyl)-2-thianyl]methyl] ester IUPAC Name: S-[[(1R,2R)-1-oxo-2-pyridin-3-ylthian-2-yl]methyl] ethanethioate Traditional Name: ethanethioic acid S-[[(1R,2R)-1-keto-2-(3-pyridyl)thian-2-yl]methyl] ester Formula: C13H17NO2S2 MolecularWeight: 283.40958

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC1(CCCCS1=O)C2=CN=CC=C2

Isomeric SMILES

CC(=O)SC[C@@]1(CCCC[S@]1=O)C2=CN=CC=C2

InChI

InChI=1S/C13H17NO2S2/c1-11(15)17-10-13(6-2-3-8-18(13)16)12-5-4-7-14-9-12/h4-5,7,9H,2-3,6,8,10H2,1H3/t13-,18+/m0/s1