4-(2-ethylsulfanylbenzimidazol-1-yl)butanoic acid

Systemtic Name: 4-(2-ethylsulfanylbenzimidazol-1-yl)butanoic acid Openeye Name: 4-(2-ethylsulfanylbenzimidazol-1-yl)butanoic acid CAS Name: 4-[2-(ethylthio)-1-benzimidazolyl]butanoic acid IUPAC Name: 4-(2-ethylsulfanylbenzimidazol-1-yl)butanoic acid Traditional Name: 4-[2-(ethylthio)benzimidazol-1-yl]butyric acid Formula: C13H16N2O2S MolecularWeight: 264.34334

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC2=CC=CC=C2N1CCCC(=O)O

Isomeric SMILES

CCSC1=NC2=CC=CC=C2N1CCCC(=O)O

InChI

InChI=1S/C13H16N2O2S/c1-2-18-13-14-10-6-3-4-7-11(10)15(13)9-5-8-12(16)17/h3-4,6-7H,2,5,8-9H2,1H3,(H,16,17)