S-(5-methylsulfonyloxy-5-pyridin-3-yl-pentyl) ethanethioate

Systemtic Name: S-(5-methylsulfonyloxy-5-pyridin-3-yl-pentyl) ethanethioate Openeye Name: S-[5-methylsulfonyloxy-5-(3-pyridyl)pentyl] ethanethioate CAS Name: ethanethioic acid S-[5-methylsulfonyloxy-5-(3-pyridinyl)pentyl] ester IUPAC Name: S-(5-methylsulfonyloxy-5-pyridin-3-ylpentyl) ethanethioate Traditional Name: ethanethioic acid S-[5-methylsulfonyloxy-5-(3-pyridyl)pentyl] ester Formula: C13H19NO4S2 MolecularWeight: 317.42426

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCCCCC(C1=CN=CC=C1)OS(=O)(=O)C

Isomeric SMILES

CC(=O)SCCCCC(C1=CN=CC=C1)OS(=O)(=O)C

InChI

InChI=1S/C13H19NO4S2/c1-11(15)19-9-4-3-7-13(18-20(2,16)17)12-6-5-8-14-10-12/h5-6,8,10,13H,3-4,7,9H2,1-2H3