S-[[(3R)-3-methyl-2H-1,4-benzoxathiin-3-yl]methyl] ethanethioate

Systemtic Name: S-[[(3R)-3-methyl-2H-1,4-benzoxathiin-3-yl]methyl] ethanethioate Openeye Name: S-[[(3R)-3-methyl-2H-1,4-benzoxathiin-3-yl]methyl] ethanethioate CAS Name: ethanethioic acid S-[[(3R)-3-methyl-2H-1,4-benzoxathiin-3-yl]methyl] ester IUPAC Name: S-[[(3R)-3-methyl-2H-1,4-benzoxathiin-3-yl]methyl] ethanethioate Traditional Name: ethanethioic acid S-[[(3R)-3-methyl-2H-1,4-benzoxathiin-3-yl]methyl] ester Formula: C12H14O2S2 MolecularWeight: 254.36836

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC1(COC2=CC=CC=C2S1)C

Isomeric SMILES

CC(=O)SC[C@]1(COC2=CC=CC=C2S1)C

InChI

InChI=1S/C12H14O2S2/c1-9(13)15-8-12(2)7-14-10-5-3-4-6-11(10)16-12/h3-6H,7-8H2,1-2H3/t12-/m1/s1