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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C(=C1CC(=O)O)SC

Isomeric SMILES

CN1C2=CC=CC=C2C(=C1CC(=O)O)SC

InChI

InChI=1S/C12H13NO2S/c1-13-9-6-4-3-5-8(9)12(16-2)10(13)7-11(14)15/h3-6H,7H2,1-2H3,(H,14,15)