2-(2,3-dimethylindol-3-yl)-2-methylsulfanyl-ethanoic acid

Systemtic Name: 2-(2,3-dimethylindol-3-yl)-2-methylsulfanyl-ethanoic acid Openeye Name: 2-(2,3-dimethylindol-3-yl)-2-methylsulfanyl-acetic acid CAS Name: 2-(2,3-dimethyl-3-indolyl)-2-(methylthio)acetic acid IUPAC Name: 2-(2,3-dimethylindol-3-yl)-2-methylsulfanylacetic acid Traditional Name: 2-(2,3-dimethylindol-3-yl)-2-(methylthio)acetic acid Formula: C13H15NO2S MolecularWeight: 249.3287

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C1(C)C(C(=O)O)SC

Isomeric SMILES

CC1=NC2=CC=CC=C2C1(C)C(C(=O)O)SC

InChI

InChI=1S/C13H15NO2S/c1-8-13(2,11(17-3)12(15)16)9-6-4-5-7-10(9)14-8/h4-7,11H,1-3H3,(H,15,16)