(2S)-2-[(2-cyanophenyl)methylsulfanyl]propanoic acid

Systemtic Name: (2S)-2-[(2-cyanophenyl)methylsulfanyl]propanoic acid Openeye Name: (2S)-2-[(2-cyanophenyl)methylsulfanyl]propanoic acid CAS Name: (2S)-2-[(2-cyanophenyl)methylthio]propanoic acid IUPAC Name: (2S)-2-[(2-cyanophenyl)methylsulfanyl]propanoic acid Traditional Name: (2S)-2-[(2-cyanobenzyl)thio]propionic acid Formula: C11H11NO2S MolecularWeight: 221.27554

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)SCC1=CC=CC=C1C#N

Isomeric SMILES

C[C@@H](C(=O)O)SCC1=CC=CC=C1C#N

InChI

InChI=1S/C11H11NO2S/c1-8(11(13)14)15-7-10-5-3-2-4-9(10)6-12/h2-5,8H,7H2,1H3,(H,13,14)/t8-/m0/s1