2-azanyl-3-[2-(2-methylphenoxy)ethylsulfanyl]propanoic acid

Systemtic Name: 2-azanyl-3-[2-(2-methylphenoxy)ethylsulfanyl]propanoic acid Openeye Name: 2-amino-3-[2-(2-methylphenoxy)ethylsulfanyl]propanoic acid CAS Name: 2-amino-3-[2-(2-methylphenoxy)ethylthio]propanoic acid IUPAC Name: 2-amino-3-[2-(2-methylphenoxy)ethylsulfanyl]propanoic acid Traditional Name: 2-amino-3-[2-(2-methylphenoxy)ethylthio]propionic acid Formula: C12H17NO3S MolecularWeight: 255.33328

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OCCSCC(C(=O)O)N

Isomeric SMILES

CC1=CC=CC=C1OCCSCC(C(=O)O)N

InChI

InChI=1S/C12H17NO3S/c1-9-4-2-3-5-11(9)16-6-7-17-8-10(13)12(14)15/h2-5,10H,6-8,13H2,1H3,(H,14,15)