2-[4-(2,5-dimethylpyrrol-1-yl)phenyl]sulfanylethanoic acid

Systemtic Name: 2-[4-(2,5-dimethylpyrrol-1-yl)phenyl]sulfanylethanoic acid Openeye Name: 2-[4-(2,5-dimethylpyrrol-1-yl)phenyl]sulfanylacetic acid CAS Name: 2-[[4-(2,5-dimethyl-1-pyrrolyl)phenyl]thio]acetic acid IUPAC Name: 2-[4-(2,5-dimethylpyrrol-1-yl)phenyl]sulfanylacetic acid Traditional Name: 2-[[4-(2,5-dimethylpyrrol-1-yl)phenyl]thio]acetic acid Formula: C14H15NO2S MolecularWeight: 261.3394

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1C2=CC=C(C=C2)SCC(=O)O)C

Isomeric SMILES

CC1=CC=C(N1C2=CC=C(C=C2)SCC(=O)O)C

InChI

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