3-[2-(methylcarbamoyl)phenyl]sulfanylpropanoic acid

Systemtic Name: 3-[2-(methylcarbamoyl)phenyl]sulfanylpropanoic acid Openeye Name: 3-[2-(methylcarbamoyl)phenyl]sulfanylpropanoic acid CAS Name: 3-[[2-(methylcarbamoyl)phenyl]thio]propanoic acid IUPAC Name: 3-[2-(methylcarbamoyl)phenyl]sulfanylpropanoic acid Traditional Name: 3-[[2-(methylcarbamoyl)phenyl]thio]propionic acid Formula: C11H13NO3S MolecularWeight: 239.29082

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=CC=CC=C1SCCC(=O)O

Isomeric SMILES

CNC(=O)C1=CC=CC=C1SCCC(=O)O

InChI

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