3-[(4-methylsulfanylphenyl)carbonylamino]propanoic acid

Systemtic Name: 3-[(4-methylsulfanylphenyl)carbonylamino]propanoic acid Openeye Name: 3-[(4-methylsulfanylbenzoyl)amino]propanoic acid CAS Name: 3-[[[4-(methylthio)phenyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[(4-methylsulfanylbenzoyl)amino]propanoic acid Traditional Name: 3-[[4-(methylthio)benzoyl]amino]propionic acid Formula: C11H13NO3S MolecularWeight: 239.29082

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C(=O)NCCC(=O)O

Isomeric SMILES

CSC1=CC=C(C=C1)C(=O)NCCC(=O)O

InChI

InChI=1S/C11H13NO3S/c1-16-9-4-2-8(3-5-9)11(15)12-7-6-10(13)14/h2-5H,6-7H2,1H3,(H,12,15)(H,13,14)