(2S)-2-[(5-cyano-2-fluoranyl-phenyl)methylsulfanyl]propanoate

Systemtic Name: (2S)-2-[(5-cyano-2-fluoranyl-phenyl)methylsulfanyl]propanoate Openeye Name: (2S)-2-[(5-cyano-2-fluoro-phenyl)methylsulfanyl]propanoate CAS Name: (2S)-2-[(5-cyano-2-fluorophenyl)methylthio]propanoate IUPAC Name: (2S)-2-[(5-cyano-2-fluorophenyl)methylsulfanyl]propanoate Traditional Name: (2S)-2-[(5-cyano-2-fluoro-benzyl)thio]propionate Formula: C11H9FNO2S- MolecularWeight: 238.258063

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)[O-])SCC1=C(C=CC(=C1)C#N)F

Isomeric SMILES

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

InChI

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