3-cyano-3-(phenylmethylsulfanyl)propanoic acid

Systemtic Name: 3-cyano-3-(phenylmethylsulfanyl)propanoic acid Openeye Name: 3-benzylsulfanyl-3-cyano-propanoic acid CAS Name: 3-cyano-3-(phenylmethylthio)propanoic acid IUPAC Name: 3-benzylsulfanyl-3-cyanopropanoic acid Traditional Name: 3-(benzylthio)-3-cyano-propionic acid Formula: C11H11NO2S MolecularWeight: 221.27554

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC(CC(=O)O)C#N

Isomeric SMILES

C1=CC=C(C=C1)CSC(CC(=O)O)C#N

InChI

InChI=1S/C11H11NO2S/c12-7-10(6-11(13)14)15-8-9-4-2-1-3-5-9/h1-5,10H,6,8H2,(H,13,14)