1-[2-(5-ethoxycarbonyl-1-ethyl-benzimidazol-2-yl)sulfanylethanoyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[2-(5-ethoxycarbonyl-1-ethyl-benzimidazol-2-yl)sulfanylethanoyl]piperidine-4-carboxylic acid Openeye Name: 1-[2-(5-ethoxycarbonyl-1-ethyl-benzimidazol-2-yl)sulfanylacetyl]piperidine-4-carboxylic acid CAS Name: 1-[2-[(5-ethoxycarbonyl-1-ethyl-2-benzimidazolyl)thio]-1-oxoethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[2-(5-ethoxycarbonyl-1-ethylbenzimidazol-2-yl)sulfanylacetyl]piperidine-4-carboxylic acid Traditional Name: 1-[2-[(5-carbethoxy-1-ethyl-benzimidazol-2-yl)thio]acetyl]isonipecotic acid Formula: C20H25N3O5S MolecularWeight: 419.4946

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)OCC)N=C1SCC(=O)N3CCC(CC3)C(=O)O

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)OCC)N=C1SCC(=O)N3CCC(CC3)C(=O)O

InChI

InChI=1S/C20H25N3O5S/c1-3-23-16-6-5-14(19(27)28-4-2)11-15(16)21-20(23)29-12-17(24)22-9-7-13(8-10-22)18(25)26/h5-6,11,13H,3-4,7-10,12H2,1-2H3,(H,25,26)