2-[4-(2-cyanoethylsulfanylmethyl)phenoxy]ethanoate

Systemtic Name: 2-[4-(2-cyanoethylsulfanylmethyl)phenoxy]ethanoate Openeye Name: 2-[4-(2-cyanoethylsulfanylmethyl)phenoxy]acetate CAS Name: 2-[4-[(2-cyanoethylthio)methyl]phenoxy]acetate IUPAC Name: 2-[4-(2-cyanoethylsulfanylmethyl)phenoxy]acetate Traditional Name: 2-[4-[(2-cyanoethylthio)methyl]phenoxy]acetate Formula: C12H12NO3S- MolecularWeight: 250.29358

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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)/p-1