2-(2,3,3a,4,5,6,7,7a-octahydro-1H-benzimidazol-2-ylsulfanyl)ethanoate

Systemtic Name: 2-(2,3,3a,4,5,6,7,7a-octahydro-1H-benzimidazol-2-ylsulfanyl)ethanoate Openeye Name: 2-(2,3,3a,4,5,6,7,7a-octahydro-1H-benzimidazol-2-ylsulfanyl)acetate CAS Name: 2-(2,3,3a,4,5,6,7,7a-octahydro-1H-benzimidazol-2-ylthio)acetate IUPAC Name: 2-(2,3,3a,4,5,6,7,7a-octahydro-1H-benzimidazol-2-ylsulfanyl)acetate Traditional Name: 2-(2,3,3a,4,5,6,7,7a-octahydro-1H-benzimidazol-2-ylthio)acetate Formula: C9H15N2O2S- MolecularWeight: 215.2926

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2C(C1)NC(N2)SCC(=O)[O-]

Isomeric SMILES

C1CCC2C(C1)NC(N2)SCC(=O)[O-]

InChI

InChI=1S/C9H16N2O2S/c12-8(13)5-14-9-10-6-3-1-2-4-7(6)11-9/h6-7,9-11H,1-5H2,(H,12,13)/p-1