2-[(2-methylsulfanylphenyl)carbonylamino]-3-oxidanyl-propanoic acid

Systemtic Name: 2-[(2-methylsulfanylphenyl)carbonylamino]-3-oxidanyl-propanoic acid Openeye Name: 3-hydroxy-2-[(2-methylsulfanylbenzoyl)amino]propanoic acid CAS Name: 3-hydroxy-2-[[[2-(methylthio)phenyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-hydroxy-2-[(2-methylsulfanylbenzoyl)amino]propanoic acid Traditional Name: 3-hydroxy-2-[[2-(methylthio)benzoyl]amino]propionic acid Formula: C11H13NO4S MolecularWeight: 255.29022

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1C(=O)NC(CO)C(=O)O

Isomeric SMILES

CSC1=CC=CC=C1C(=O)NC(CO)C(=O)O

InChI

InChI=1S/C11H13NO4S/c1-17-9-5-3-2-4-7(9)10(14)12-8(6-13)11(15)16/h2-5,8,13H,6H2,1H3,(H,12,14)(H,15,16)