2-[5-(trifluoromethyl)pyridin-2-yl]sulfanylethyl 4-(2-oxidanylidene-3H-benzimidazol-1-yl)piperidine-1-carboxylate

Systemtic Name: 2-[5-(trifluoromethyl)pyridin-2-yl]sulfanylethyl 4-(2-oxidanylidene-3H-benzimidazol-1-yl)piperidine-1-carboxylate Openeye Name: 2-[[5-(trifluoromethyl)-2-pyridyl]sulfanyl]ethyl 4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylate CAS Name: 4-(2-oxo-3H-benzimidazol-1-yl)-1-piperidinecarboxylic acid 2-[[5-(trifluoromethyl)-2-pyridinyl]thio]ethyl ester IUPAC Name: 2-[5-(trifluoromethyl)pyridin-2-yl]sulfanylethyl 4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylate Traditional Name: 4-(2-keto-3H-benzimidazol-1-yl)piperidine-1-carboxylic acid 2-[[5-(trifluoromethyl)-2-pyridyl]thio]ethyl ester Formula: C21H21F3N4O3S MolecularWeight: 466.47665

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N2C3=CC=CC=C3NC2=O)C(=O)OCCSC4=NC=C(C=C4)C(F)(F)F

Isomeric SMILES

C1CN(CCC1N2C3=CC=CC=C3NC2=O)C(=O)OCCSC4=NC=C(C=C4)C(F)(F)F

InChI

InChI=1S/C21H21F3N4O3S/c22-21(23,24)14-5-6-18(25-13-14)32-12-11-31-20(30)27-9-7-15(8-10-27)28-17-4-2-1-3-16(17)26-19(28)29/h1-6,13,15H,7-12H2,(H,26,29)