2-[4-(2-cyanoethylsulfanylmethyl)phenoxy]ethanoic acid

Systemtic Name: 2-[4-(2-cyanoethylsulfanylmethyl)phenoxy]ethanoic acid Openeye Name: 2-[4-(2-cyanoethylsulfanylmethyl)phenoxy]acetic acid CAS Name: 2-[4-[(2-cyanoethylthio)methyl]phenoxy]acetic acid IUPAC Name: 2-[4-(2-cyanoethylsulfanylmethyl)phenoxy]acetic acid Traditional Name: 2-[4-[(2-cyanoethylthio)methyl]phenoxy]acetic acid Formula: C12H13NO3S MolecularWeight: 251.30152

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CSCCC#N)OCC(=O)O

Isomeric SMILES

C1=CC(=CC=C1CSCCC#N)OCC(=O)O

InChI

InChI=1S/C12H13NO3S/c13-6-1-7-17-9-10-2-4-11(5-3-10)16-8-12(14)15/h2-5H,1,7-9H2,(H,14,15)