2-[3-(2-cyanoethyl)phenyl]sulfanylethanoic acid

Systemtic Name: 2-[3-(2-cyanoethyl)phenyl]sulfanylethanoic acid Openeye Name: 2-[3-(2-cyanoethyl)phenyl]sulfanylacetic acid CAS Name: 2-[[3-(2-cyanoethyl)phenyl]thio]acetic acid IUPAC Name: 2-[3-(2-cyanoethyl)phenyl]sulfanylacetic acid Traditional Name: 2-[[3-(2-cyanoethyl)phenyl]thio]acetic acid Formula: C11H11NO2S MolecularWeight: 221.27554

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)SCC(=O)O)CCC#N

Isomeric SMILES

C1=CC(=CC(=C1)SCC(=O)O)CCC#N

InChI

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