2-(3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-ylsulfanyl)ethanoic acid

Systemtic Name: 2-(3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-ylsulfanyl)ethanoic acid Openeye Name: 2-(3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-ylsulfanyl)acetic acid CAS Name: 2-(3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-ylthio)acetic acid IUPAC Name: 2-(3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-ylsulfanyl)acetic acid Traditional Name: 2-(3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-ylthio)acetic acid Formula: C9H14N2O2S MolecularWeight: 214.28466

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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/C9H14N2O2S/c12-8(13)5-14-9-10-6-3-1-2-4-7(6)11-9/h6-7H,1-5H2,(H,10,11)(H,12,13)