2-(1-ethylbenzimidazol-2-yl)sulfanylbutanoic acid

Systemtic Name: 2-(1-ethylbenzimidazol-2-yl)sulfanylbutanoic acid Openeye Name: 2-(1-ethylbenzimidazol-2-yl)sulfanylbutanoic acid CAS Name: 2-[(1-ethyl-2-benzimidazolyl)thio]butanoic acid IUPAC Name: 2-(1-ethylbenzimidazol-2-yl)sulfanylbutanoic acid Traditional Name: 2-[(1-ethylbenzimidazol-2-yl)thio]butyric acid Formula: C13H16N2O2S MolecularWeight: 264.34334

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)O)SC1=NC2=CC=CC=C2N1CC

Isomeric SMILES

CCC(C(=O)O)SC1=NC2=CC=CC=C2N1CC

InChI

InChI=1S/C13H16N2O2S/c1-3-11(12(16)17)18-13-14-9-7-5-6-8-10(9)15(13)4-2/h5-8,11H,3-4H2,1-2H3,(H,16,17)