S-[2-(cyanomethyl)-3-ethanoylsulfanyl-propyl] ethanethioate

Systemtic Name: S-[2-(cyanomethyl)-3-ethanoylsulfanyl-propyl] ethanethioate Openeye Name: S-[2-(acetylsulfanylmethyl)-3-cyano-propyl] ethanethioate CAS Name: ethanethioic acid S-[2-[(acetylthio)methyl]-3-cyanopropyl] ester IUPAC Name: S-[2-(acetylsulfanylmethyl)-3-cyanopropyl] ethanethioate Traditional Name: ethanethioic acid S-[2-[(acetylthio)methyl]-3-cyano-propyl] ester Formula: C9H13NO2S2 MolecularWeight: 231.33502

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC(CC#N)CSC(=O)C

Isomeric SMILES

CC(=O)SCC(CC#N)CSC(=O)C

InChI

InChI=1S/C9H13NO2S2/c1-7(11)13-5-9(3-4-10)6-14-8(2)12/h9H,3,5-6H2,1-2H3