2-[2-(propanoylamino)phenyl]sulfanylethanoic acid

Systemtic Name: 2-[2-(propanoylamino)phenyl]sulfanylethanoic acid Openeye Name: 2-[2-(propanoylamino)phenyl]sulfanylacetic acid CAS Name: 2-[[2-(1-oxopropylamino)phenyl]thio]acetic acid IUPAC Name: 2-[2-(propanoylamino)phenyl]sulfanylacetic acid Traditional Name: 2-[(2-propionamidophenyl)thio]acetic acid Formula: C11H13NO3S MolecularWeight: 239.29082

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC=CC=C1SCC(=O)O

Isomeric SMILES

CCC(=O)NC1=CC=CC=C1SCC(=O)O

InChI

InChI=1S/C11H13NO3S/c1-2-10(13)12-8-5-3-4-6-9(8)16-7-11(14)15/h3-6H,2,7H2,1H3,(H,12,13)(H,14,15)