2-[2-ethylsulfanylethyl(phenyl)amino]propanoic acid

Systemtic Name: 2-[2-ethylsulfanylethyl(phenyl)amino]propanoic acid Openeye Name: 2-[N-(2-ethylsulfanylethyl)anilino]propanoic acid CAS Name: 2-[N-[2-(ethylthio)ethyl]anilino]propanoic acid IUPAC Name: 2-[N-(2-ethylsulfanylethyl)anilino]propanoic acid Traditional Name: 2-[N-[2-(ethylthio)ethyl]anilino]propionic acid Formula: C13H19NO2S MolecularWeight: 253.36046

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Descriptors Computed from Structure

Canonical SMILES:

CCSCCN(C1=CC=CC=C1)C(C)C(=O)O

Isomeric SMILES

CCSCCN(C1=CC=CC=C1)C(C)C(=O)O

InChI

InChI=1S/C13H19NO2S/c1-3-17-10-9-14(11(2)13(15)16)12-7-5-4-6-8-12/h4-8,11H,3,9-10H2,1-2H3,(H,15,16)