2-(1,5-dimethyl-3-methylsulfanyl-indol-2-yl)ethanoate

Systemtic Name: 2-(1,5-dimethyl-3-methylsulfanyl-indol-2-yl)ethanoate Openeye Name: 2-(1,5-dimethyl-3-methylsulfanyl-indol-2-yl)acetate CAS Name: 2-[1,5-dimethyl-3-(methylthio)-2-indolyl]acetate IUPAC Name: 2-(1,5-dimethyl-3-methylsulfanylindol-2-yl)acetate Traditional Name: 2-[1,5-dimethyl-3-(methylthio)indol-2-yl]acetate Formula: C13H14NO2S- MolecularWeight: 248.32076

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(C(=C2SC)CC(=O)[O-])C

Isomeric SMILES

CC1=CC2=C(C=C1)N(C(=C2SC)CC(=O)[O-])C

InChI

InChI=1S/C13H15NO2S/c1-8-4-5-10-9(6-8)13(17-3)11(14(10)2)7-12(15)16/h4-6H,7H2,1-3H3,(H,15,16)/p-1