4-(2-methylsulfanylbenzimidazol-1-yl)butanoate

Systemtic Name: 4-(2-methylsulfanylbenzimidazol-1-yl)butanoate Openeye Name: 4-(2-methylsulfanylbenzimidazol-1-yl)butanoate CAS Name: 4-[2-(methylthio)-1-benzimidazolyl]butanoate IUPAC Name: 4-(2-methylsulfanylbenzimidazol-1-yl)butanoate Traditional Name: 4-[2-(methylthio)benzimidazol-1-yl]butyrate Formula: C12H13N2O2S- MolecularWeight: 249.30882

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC2=CC=CC=C2N1CCCC(=O)[O-]

Isomeric SMILES

CSC1=NC2=CC=CC=C2N1CCCC(=O)[O-]

InChI

InChI=1S/C12H14N2O2S/c1-17-12-13-9-5-2-3-6-10(9)14(12)8-4-7-11(15)16/h2-3,5-6H,4,7-8H2,1H3,(H,15,16)/p-1