3-(2,5-dimethylpyrrol-1-yl)-3-thiophen-3-yl-propanoic acid

Systemtic Name: 3-(2,5-dimethylpyrrol-1-yl)-3-thiophen-3-yl-propanoic acid Openeye Name: 3-(2,5-dimethylpyrrol-1-yl)-3-(3-thienyl)propanoic acid CAS Name: 3-(2,5-dimethyl-1-pyrrolyl)-3-(3-thiophenyl)propanoic acid IUPAC Name: 3-(2,5-dimethylpyrrol-1-yl)-3-thiophen-3-ylpropanoic acid Traditional Name: 3-(2,5-dimethylpyrrol-1-yl)-3-(3-thienyl)propionic acid Formula: C13H15NO2S MolecularWeight: 249.3287

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1C(CC(=O)O)C2=CSC=C2)C

Isomeric SMILES

CC1=CC=C(N1C(CC(=O)O)C2=CSC=C2)C

InChI

InChI=1S/C13H15NO2S/c1-9-3-4-10(2)14(9)12(7-13(15)16)11-5-6-17-8-11/h3-6,8,12H,7H2,1-2H3,(H,15,16)