3-[(2-cyanophenyl)methylsulfanyl]propanoic acid

Systemtic Name: 3-[(2-cyanophenyl)methylsulfanyl]propanoic acid Openeye Name: 3-[(2-cyanophenyl)methylsulfanyl]propanoic acid CAS Name: 3-[(2-cyanophenyl)methylthio]propanoic acid IUPAC Name: 3-[(2-cyanophenyl)methylsulfanyl]propanoic acid Traditional Name: 3-[(2-cyanobenzyl)thio]propionic acid Formula: C11H11NO2S MolecularWeight: 221.27554

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H11NO2S/c12-7-9-3-1-2-4-10(9)8-15-6-5-11(13)14/h1-4H,5-6,8H2,(H,13,14)