2-azanyl-3-[(4-methylsulfanylphenyl)methylsulfanyl]propanoic acid

Systemtic Name: 2-azanyl-3-[(4-methylsulfanylphenyl)methylsulfanyl]propanoic acid Openeye Name: 2-amino-3-[(4-methylsulfanylphenyl)methylsulfanyl]propanoic acid CAS Name: 2-amino-3-[[4-(methylthio)phenyl]methylthio]propanoic acid IUPAC Name: 2-amino-3-[(4-methylsulfanylphenyl)methylsulfanyl]propanoic acid Traditional Name: 2-amino-3-[[4-(methylthio)benzyl]thio]propionic acid Formula: C11H15NO2S2 MolecularWeight: 257.3723

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)CSCC(C(=O)O)N

Isomeric SMILES

CSC1=CC=C(C=C1)CSCC(C(=O)O)N

InChI

InChI=1S/C11H15NO2S2/c1-15-9-4-2-8(3-5-9)6-16-7-10(12)11(13)14/h2-5,10H,6-7,12H2,1H3,(H,13,14)