2-azanyl-3-[(2-ethoxyphenyl)methylsulfanyl]propanoic acid

Systemtic Name: 2-azanyl-3-[(2-ethoxyphenyl)methylsulfanyl]propanoic acid Openeye Name: 2-amino-3-[(2-ethoxyphenyl)methylsulfanyl]propanoic acid CAS Name: 2-amino-3-[(2-ethoxyphenyl)methylthio]propanoic acid IUPAC Name: 2-amino-3-[(2-ethoxyphenyl)methylsulfanyl]propanoic acid Traditional Name: 2-amino-3-[(2-ethoxybenzyl)thio]propionic acid Formula: C12H17NO3S MolecularWeight: 255.33328

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1CSCC(C(=O)O)N

Isomeric SMILES

CCOC1=CC=CC=C1CSCC(C(=O)O)N

InChI

InChI=1S/C12H17NO3S/c1-2-16-11-6-4-3-5-9(11)7-17-8-10(13)12(14)15/h3-6,10H,2,7-8,13H2,1H3,(H,14,15)