3-cyano-4,4-bis(methylsulfanyl)but-3-enoic acid

Systemtic Name: 3-cyano-4,4-bis(methylsulfanyl)but-3-enoic acid Openeye Name: 3-cyano-4,4-bis(methylsulfanyl)but-3-enoic acid CAS Name: 3-cyano-4,4-bis(methylthio)-3-butenoic acid IUPAC Name: 3-cyano-4,4-bis(methylsulfanyl)but-3-enoic acid Traditional Name: 3-cyano-4,4-bis(methylthio)but-3-enoic acid Formula: C7H9NO2S2 MolecularWeight: 203.28186

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H9NO2S2/c1-11-7(12-2)5(4-8)3-6(9)10/h3H2,1-2H3,(H,9,10)