2-[1-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxidanylidene-ethyl]benzimidazol-2-yl]sulfanylethanoate

Systemtic Name: 2-[1-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxidanylidene-ethyl]benzimidazol-2-yl]sulfanylethanoate Openeye Name: 2-[1-[2-[(3R,5R)-3,5-dimethyl-1-piperidyl]-2-oxo-ethyl]benzimidazol-2-yl]sulfanylacetate CAS Name: 2-[[1-[2-[(3R,5R)-3,5-dimethyl-1-piperidinyl]-2-oxoethyl]-2-benzimidazolyl]thio]acetate IUPAC Name: 2-[1-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]benzimidazol-2-yl]sulfanylacetate Traditional Name: 2-[[1-[2-[(3R,5R)-3,5-dimethylpiperidino]-2-keto-ethyl]benzimidazol-2-yl]thio]acetate Formula: C18H22N3O3S- MolecularWeight: 360.45058

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C(=O)CN2C3=CC=CC=C3N=C2SCC(=O)[O-])C

Isomeric SMILES

C[C@@H]1C[C@H](CN(C1)C(=O)CN2C3=CC=CC=C3N=C2SCC(=O)[O-])C

InChI

InChI=1S/C18H23N3O3S/c1-12-7-13(2)9-20(8-12)16(22)10-21-15-6-4-3-5-14(15)19-18(21)25-11-17(23)24/h3-6,12-13H,7-11H2,1-2H3,(H,23,24)/p-1/t12-,13-/m1/s1