methyl 2-(2-methylsulfanylpyrrol-1-yl)benzoate

Systemtic Name: methyl 2-(2-methylsulfanylpyrrol-1-yl)benzoate Openeye Name: methyl 2-(2-methylsulfanylpyrrol-1-yl)benzoate CAS Name: 2-[2-(methylthio)-1-pyrrolyl]benzoic acid methyl ester IUPAC Name: methyl 2-(2-methylsulfanylpyrrol-1-yl)benzoate Traditional Name: 2-[2-(methylthio)pyrrol-1-yl]benzoic acid methyl ester Formula: C13H13NO2S MolecularWeight: 247.31282

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1N2C=CC=C2SC

Isomeric SMILES

COC(=O)C1=CC=CC=C1N2C=CC=C2SC

InChI

InChI=1S/C13H13NO2S/c1-16-13(15)10-6-3-4-7-11(10)14-9-5-8-12(14)17-2/h3-9H,1-2H3