4-(1H-indol-3-ylsulfanyl)butanoic acid

Systemtic Name: 4-(1H-indol-3-ylsulfanyl)butanoic acid Openeye Name: 4-(1H-indol-3-ylsulfanyl)butanoic acid CAS Name: 4-(1H-indol-3-ylthio)butanoic acid IUPAC Name: 4-(1H-indol-3-ylsulfanyl)butanoic acid Traditional Name: 4-(1H-indol-3-ylthio)butyric acid Formula: C12H13NO2S MolecularWeight: 235.30212

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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