2-[(5,6-dimethylindol-1-yl)methylsulfanyl]ethanoic acid

Systemtic Name: 2-[(5,6-dimethylindol-1-yl)methylsulfanyl]ethanoic acid Openeye Name: 2-[(5,6-dimethylindol-1-yl)methylsulfanyl]acetic acid CAS Name: 2-[(5,6-dimethyl-1-indolyl)methylthio]acetic acid IUPAC Name: 2-[(5,6-dimethylindol-1-yl)methylsulfanyl]acetic acid Traditional Name: 2-[(5,6-dimethylindol-1-yl)methylthio]acetic acid Formula: C13H15NO2S MolecularWeight: 249.3287

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C=CN2CSCC(=O)O)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C=CN2CSCC(=O)O)C

InChI

InChI=1S/C13H15NO2S/c1-9-5-11-3-4-14(8-17-7-13(15)16)12(11)6-10(9)2/h3-6H,7-8H2,1-2H3,(H,15,16)