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

Systemtic Name: 2-azanyl-3-[2-(4-cyanophenoxy)ethylsulfanyl]propanoic acid Openeye Name: 2-amino-3-[2-(4-cyanophenoxy)ethylsulfanyl]propanoic acid CAS Name: 2-amino-3-[2-(4-cyanophenoxy)ethylthio]propanoic acid IUPAC Name: 2-amino-3-[2-(4-cyanophenoxy)ethylsulfanyl]propanoic acid Traditional Name: 2-amino-3-[2-(4-cyanophenoxy)ethylthio]propionic acid Formula: C12H14N2O3S MolecularWeight: 266.31616

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#N)OCCSCC(C(=O)O)N

Isomeric SMILES

C1=CC(=CC=C1C#N)OCCSCC(C(=O)O)N

InChI

InChI=1S/C12H14N2O3S/c13-7-9-1-3-10(4-2-9)17-5-6-18-8-11(14)12(15)16/h1-4,11H,5-6,8,14H2,(H,15,16)