1-[2-(1-ethylbenzimidazol-2-yl)sulfanylethanoyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[2-(1-ethylbenzimidazol-2-yl)sulfanylethanoyl]piperidine-4-carboxylic acid Openeye Name: 1-[2-(1-ethylbenzimidazol-2-yl)sulfanylacetyl]piperidine-4-carboxylic acid CAS Name: 1-[2-[(1-ethyl-2-benzimidazolyl)thio]-1-oxoethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[2-(1-ethylbenzimidazol-2-yl)sulfanylacetyl]piperidine-4-carboxylic acid Traditional Name: 1-[2-[(1-ethylbenzimidazol-2-yl)thio]acetyl]isonipecotic acid Formula: C17H21N3O3S MolecularWeight: 347.43194

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC=CC=C2N=C1SCC(=O)N3CCC(CC3)C(=O)O

Isomeric SMILES

CCN1C2=CC=CC=C2N=C1SCC(=O)N3CCC(CC3)C(=O)O

InChI

InChI=1S/C17H21N3O3S/c1-2-20-14-6-4-3-5-13(14)18-17(20)24-11-15(21)19-9-7-12(8-10-19)16(22)23/h3-6,12H,2,7-11H2,1H3,(H,22,23)