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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)CSCCC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)CSCCC(=O)O

InChI

InChI=1S/C12H13NO2S/c14-12(15)5-6-16-8-9-7-13-11-4-2-1-3-10(9)11/h1-4,7,13H,5-6,8H2,(H,14,15)