methyl 2-(3,3-dimethylindol-2-yl)sulfanylethanoate

Systemtic Name: methyl 2-(3,3-dimethylindol-2-yl)sulfanylethanoate Openeye Name: methyl 2-(3,3-dimethylindol-2-yl)sulfanylacetate CAS Name: 2-[(3,3-dimethyl-2-indolyl)thio]acetic acid methyl ester IUPAC Name: methyl 2-(3,3-dimethylindol-2-yl)sulfanylacetate Traditional Name: 2-[(3,3-dimethylindol-2-yl)thio]acetic acid methyl ester Formula: C13H15NO2S MolecularWeight: 249.3287

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=CC=CC=C2N=C1SCC(=O)OC)C

Isomeric SMILES

CC1(C2=CC=CC=C2N=C1SCC(=O)OC)C

InChI

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