3-[(4-cyano-2-fluoranyl-phenyl)methylsulfanyl]propanoic acid

Systemtic Name: 3-[(4-cyano-2-fluoranyl-phenyl)methylsulfanyl]propanoic acid Openeye Name: 3-[(4-cyano-2-fluoro-phenyl)methylsulfanyl]propanoic acid CAS Name: 3-[(4-cyano-2-fluorophenyl)methylthio]propanoic acid IUPAC Name: 3-[(4-cyano-2-fluorophenyl)methylsulfanyl]propanoic acid Traditional Name: 3-[(4-cyano-2-fluoro-benzyl)thio]propionic acid Formula: C11H10FNO2S MolecularWeight: 239.266003

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C#N)F)CSCCC(=O)O

Isomeric SMILES

C1=CC(=C(C=C1C#N)F)CSCCC(=O)O

InChI

InChI=1S/C11H10FNO2S/c12-10-5-8(6-13)1-2-9(10)7-16-4-3-11(14)15/h1-2,5H,3-4,7H2,(H,14,15)