2-azanyl-3-[4-(ethylsulfanylmethyl)phenyl]propanoic acid

Systemtic Name: 2-azanyl-3-[4-(ethylsulfanylmethyl)phenyl]propanoic acid Openeye Name: 2-amino-3-[4-(ethylsulfanylmethyl)phenyl]propanoic acid CAS Name: 2-amino-3-[4-[(ethylthio)methyl]phenyl]propanoic acid IUPAC Name: 2-amino-3-[4-(ethylsulfanylmethyl)phenyl]propanoic acid Traditional Name: 2-amino-3-[4-[(ethylthio)methyl]phenyl]propionic acid Formula: C12H17NO2S MolecularWeight: 239.33388

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Descriptors Computed from Structure

Canonical SMILES:

CCSCC1=CC=C(C=C1)CC(C(=O)O)N

Isomeric SMILES

CCSCC1=CC=C(C=C1)CC(C(=O)O)N

InChI

InChI=1S/C12H17NO2S/c1-2-16-8-10-5-3-9(4-6-10)7-11(13)12(14)15/h3-6,11H,2,7-8,13H2,1H3,(H,14,15)