(2S)-2-azaniumyl-3-[(5-cyano-2-fluoranyl-phenyl)methylsulfanyl]propanoate

Systemtic Name: (2S)-2-azaniumyl-3-[(5-cyano-2-fluoranyl-phenyl)methylsulfanyl]propanoate Openeye Name: (2S)-2-azaniumyl-3-[(5-cyano-2-fluoro-phenyl)methylsulfanyl]propanoate CAS Name: (2S)-2-ammonio-3-[(5-cyano-2-fluorophenyl)methylthio]propanoate IUPAC Name: (2S)-2-azaniumyl-3-[(5-cyano-2-fluorophenyl)methylsulfanyl]propanoate Traditional Name: (2S)-2-ammonio-3-[(5-cyano-2-fluoro-benzyl)thio]propionate Formula: C11H11FN2O2S MolecularWeight: 254.280643

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C#N)CSCC(C(=O)[O-])[NH3+])F

Isomeric SMILES

C1=CC(=C(C=C1C#N)CSC[C@H](C(=O)[O-])[NH3+])F

InChI

InChI=1S/C11H11FN2O2S/c12-9-2-1-7(4-13)3-8(9)5-17-6-10(14)11(15)16/h1-3,10H,5-6,14H2,(H,15,16)/t10-/m1/s1