3-[[3-(methylsulfanylmethyl)phenyl]carbonylamino]propanoic acid

Systemtic Name: 3-[[3-(methylsulfanylmethyl)phenyl]carbonylamino]propanoic acid Openeye Name: 3-[[3-(methylsulfanylmethyl)benzoyl]amino]propanoic acid CAS Name: 3-[[[3-[(methylthio)methyl]phenyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[3-(methylsulfanylmethyl)benzoyl]amino]propanoic acid Traditional Name: 3-[[3-[(methylthio)methyl]benzoyl]amino]propionic acid Formula: C12H15NO3S MolecularWeight: 253.3174

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Descriptors Computed from Structure

Canonical SMILES:

CSCC1=CC=CC(=C1)C(=O)NCCC(=O)O

Isomeric SMILES

CSCC1=CC=CC(=C1)C(=O)NCCC(=O)O

InChI

InChI=1S/C12H15NO3S/c1-17-8-9-3-2-4-10(7-9)12(16)13-6-5-11(14)15/h2-4,7H,5-6,8H2,1H3,(H,13,16)(H,14,15)