5-(1H-indol-3-ylsulfanyl)pentanoic acid

Systemtic Name: 5-(1H-indol-3-ylsulfanyl)pentanoic acid Openeye Name: 5-(1H-indol-3-ylsulfanyl)pentanoic acid CAS Name: 5-(1H-indol-3-ylthio)pentanoic acid IUPAC Name: 5-(1H-indol-3-ylsulfanyl)pentanoic acid Traditional Name: 5-(1H-indol-3-ylthio)valeric acid Formula: C13H15NO2S MolecularWeight: 249.3287

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15NO2S/c15-13(16)7-3-4-8-17-12-9-14-11-6-2-1-5-10(11)12/h1-2,5-6,9,14H,3-4,7-8H2,(H,15,16)