3-[(2-methyl-1H-indol-3-yl)methylsulfanyl]propanoic acid

Systemtic Name: 3-[(2-methyl-1H-indol-3-yl)methylsulfanyl]propanoic acid Openeye Name: 3-[(2-methyl-1H-indol-3-yl)methylsulfanyl]propanoic acid CAS Name: 3-[(2-methyl-1H-indol-3-yl)methylthio]propanoic acid IUPAC Name: 3-[(2-methyl-1H-indol-3-yl)methylsulfanyl]propanoic acid Traditional Name: 3-[(2-methyl-1H-indol-3-yl)methylthio]propionic acid Formula: C13H15NO2S MolecularWeight: 249.3287

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N1)CSCCC(=O)O

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1)CSCCC(=O)O

InChI

InChI=1S/C13H15NO2S/c1-9-11(8-17-7-6-13(15)16)10-4-2-3-5-12(10)14-9/h2-5,14H,6-8H2,1H3,(H,15,16)