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

Systemtic Name: 2-[(2-methyl-1H-indol-3-yl)methylsulfanyl]ethanoic acid Openeye Name: 2-[(2-methyl-1H-indol-3-yl)methylsulfanyl]acetic acid CAS Name: 2-[(2-methyl-1H-indol-3-yl)methylthio]acetic acid IUPAC Name: 2-[(2-methyl-1H-indol-3-yl)methylsulfanyl]acetic acid Traditional Name: 2-[(2-methyl-1H-indol-3-yl)methylthio]acetic acid Formula: C12H13NO2S MolecularWeight: 235.30212

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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