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

Systemtic Name: 2-[2-(2,5-dimethylpyrrol-1-yl)phenyl]sulfanylpropanoic acid Openeye Name: 2-[2-(2,5-dimethylpyrrol-1-yl)phenyl]sulfanylpropanoic acid CAS Name: 2-[[2-(2,5-dimethyl-1-pyrrolyl)phenyl]thio]propanoic acid IUPAC Name: 2-[2-(2,5-dimethylpyrrol-1-yl)phenyl]sulfanylpropanoic acid Traditional Name: 2-[[2-(2,5-dimethylpyrrol-1-yl)phenyl]thio]propionic acid Formula: C15H17NO2S MolecularWeight: 275.36598

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1C2=CC=CC=C2SC(C)C(=O)O)C

Isomeric SMILES

CC1=CC=C(N1C2=CC=CC=C2SC(C)C(=O)O)C

InChI

InChI=1S/C15H17NO2S/c1-10-8-9-11(2)16(10)13-6-4-5-7-14(13)19-12(3)15(17)18/h4-9,12H,1-3H3,(H,17,18)