2-(1H-indol-3-ylmethylsulfanyl)propanoic acid

Systemtic Name: 2-(1H-indol-3-ylmethylsulfanyl)propanoic acid Openeye Name: 2-(1H-indol-3-ylmethylsulfanyl)propanoic acid CAS Name: 2-(1H-indol-3-ylmethylthio)propanoic acid IUPAC Name: 2-(1H-indol-3-ylmethylsulfanyl)propanoic acid Traditional Name: 2-(1H-indol-3-ylmethylthio)propionic acid Formula: C12H13NO2S MolecularWeight: 235.30212

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)SCC1=CNC2=CC=CC=C21

Isomeric SMILES

CC(C(=O)O)SCC1=CNC2=CC=CC=C21

InChI

InChI=1S/C12H13NO2S/c1-8(12(14)15)16-7-9-6-13-11-5-3-2-4-10(9)11/h2-6,8,13H,7H2,1H3,(H,14,15)