4-cyano-4-ethanethioylsulfanyl-pentanoic acid

Systemtic Name: 4-cyano-4-ethanethioylsulfanyl-pentanoic acid Openeye Name: 4-cyano-4-ethanethioylsulfanyl-pentanoic acid CAS Name: 4-cyano-4-(1-sulfanylideneethylthio)pentanoic acid IUPAC Name: 4-cyano-4-ethanethioylsulfanylpentanoic acid Traditional Name: 4-cyano-4-(thioacetylthio)valeric acid Formula: C8H11NO2S2 MolecularWeight: 217.30844

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=S)SC(C)(CCC(=O)O)C#N

Isomeric SMILES

CC(=S)SC(C)(CCC(=O)O)C#N

InChI

InChI=1S/C8H11NO2S2/c1-6(12)13-8(2,5-9)4-3-7(10)11/h3-4H2,1-2H3,(H,10,11)