2-[2-(2,5-dimethylpyrrol-1-yl)phenyl]sulfanylethanoate

Systemtic Name: 2-[2-(2,5-dimethylpyrrol-1-yl)phenyl]sulfanylethanoate Openeye Name: 2-[2-(2,5-dimethylpyrrol-1-yl)phenyl]sulfanylacetate CAS Name: 2-[[2-(2,5-dimethyl-1-pyrrolyl)phenyl]thio]acetate IUPAC Name: 2-[2-(2,5-dimethylpyrrol-1-yl)phenyl]sulfanylacetate Traditional Name: 2-[[2-(2,5-dimethylpyrrol-1-yl)phenyl]thio]acetate Formula: C14H14NO2S- MolecularWeight: 260.33146

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1C2=CC=CC=C2SCC(=O)[O-])C

Isomeric SMILES

CC1=CC=C(N1C2=CC=CC=C2SCC(=O)[O-])C

InChI

InChI=1S/C14H15NO2S/c1-10-7-8-11(2)15(10)12-5-3-4-6-13(12)18-9-14(16)17/h3-8H,9H2,1-2H3,(H,16,17)/p-1