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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCCSCC(C(=O)O)N

Isomeric SMILES

CC1=CC(=CC=C1)OCCSCC(C(=O)O)N

InChI

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