3-[2-(4-cyanophenoxy)ethylsulfanyl]propanoic acid

Systemtic Name: 3-[2-(4-cyanophenoxy)ethylsulfanyl]propanoic acid Openeye Name: 3-[2-(4-cyanophenoxy)ethylsulfanyl]propanoic acid CAS Name: 3-[2-(4-cyanophenoxy)ethylthio]propanoic acid IUPAC Name: 3-[2-(4-cyanophenoxy)ethylsulfanyl]propanoic acid Traditional Name: 3-[2-(4-cyanophenoxy)ethylthio]propionic acid Formula: C12H13NO3S MolecularWeight: 251.30152

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#N)OCCSCCC(=O)O

Isomeric SMILES

C1=CC(=CC=C1C#N)OCCSCCC(=O)O

InChI

InChI=1S/C12H13NO3S/c13-9-10-1-3-11(4-2-10)16-6-8-17-7-5-12(14)15/h1-4H,5-8H2,(H,14,15)