3-(1-ethylbenzimidazol-2-yl)sulfanylpropanoate

Systemtic Name: 3-(1-ethylbenzimidazol-2-yl)sulfanylpropanoate Openeye Name: 3-(1-ethylbenzimidazol-2-yl)sulfanylpropanoate CAS Name: 3-[(1-ethyl-2-benzimidazolyl)thio]propanoate IUPAC Name: 3-(1-ethylbenzimidazol-2-yl)sulfanylpropanoate Traditional Name: 3-[(1-ethylbenzimidazol-2-yl)thio]propionate Formula: C12H13N2O2S- MolecularWeight: 249.30882

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC=CC=C2N=C1SCCC(=O)[O-]

Isomeric SMILES

CCN1C2=CC=CC=C2N=C1SCCC(=O)[O-]

InChI

InChI=1S/C12H14N2O2S/c1-2-14-10-6-4-3-5-9(10)13-12(14)17-8-7-11(15)16/h3-6H,2,7-8H2,1H3,(H,15,16)/p-1