(2S)-2-[(4-cyano-2-fluoranyl-phenyl)methylsulfanyl]propanoic acid

Systemtic Name: (2S)-2-[(4-cyano-2-fluoranyl-phenyl)methylsulfanyl]propanoic acid Openeye Name: (2S)-2-[(4-cyano-2-fluoro-phenyl)methylsulfanyl]propanoic acid CAS Name: (2S)-2-[(4-cyano-2-fluorophenyl)methylthio]propanoic acid IUPAC Name: (2S)-2-[(4-cyano-2-fluorophenyl)methylsulfanyl]propanoic acid Traditional Name: (2S)-2-[(4-cyano-2-fluoro-benzyl)thio]propionic acid Formula: C11H10FNO2S MolecularWeight: 239.266003

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)SCC1=C(C=C(C=C1)C#N)F

Isomeric SMILES

C[C@@H](C(=O)O)SCC1=C(C=C(C=C1)C#N)F

InChI

InChI=1S/C11H10FNO2S/c1-7(11(14)15)16-6-9-3-2-8(5-13)4-10(9)12/h2-4,7H,6H2,1H3,(H,14,15)/t7-/m0/s1