(2-methyl-3-methylsulfanyl-1H-indol-5-yl) ethanoate

Systemtic Name: (2-methyl-3-methylsulfanyl-1H-indol-5-yl) ethanoate Openeye Name: (2-methyl-3-methylsulfanyl-1H-indol-5-yl) acetate CAS Name: acetic acid [2-methyl-3-(methylthio)-1H-indol-5-yl] ester IUPAC Name: (2-methyl-3-methylsulfanyl-1H-indol-5-yl) acetate Traditional Name: acetic acid [2-methyl-3-(methylthio)-1H-indol-5-yl] ester Formula: C12H13NO2S MolecularWeight: 235.30212

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1)C=CC(=C2)OC(=O)C)SC

Isomeric SMILES

CC1=C(C2=C(N1)C=CC(=C2)OC(=O)C)SC

InChI

InChI=1S/C12H13NO2S/c1-7-12(16-3)10-6-9(15-8(2)14)4-5-11(10)13-7/h4-6,13H,1-3H3