1-[2-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]sulfanylethanoyl]piperidine-4-carboxylate

Systemtic Name: 1-[2-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]sulfanylethanoyl]piperidine-4-carboxylate Openeye Name: 1-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridyl]sulfanyl]acetyl]piperidine-4-carboxylate CAS Name: 1-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]thio]-1-oxoethyl]-4-piperidinecarboxylate IUPAC Name: 1-[2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanylacetyl]piperidine-4-carboxylate Traditional Name: 1-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridyl]thio]acetyl]isonipecotate Formula: C14H13ClF3N2O3S- MolecularWeight: 381.77783

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)[O-])C(=O)CSC2=C(C=C(C=N2)C(F)(F)F)Cl

Isomeric SMILES

C1CN(CCC1C(=O)[O-])C(=O)CSC2=C(C=C(C=N2)C(F)(F)F)Cl

InChI

InChI=1S/C14H14ClF3N2O3S/c15-10-5-9(14(16,17)18)6-19-12(10)24-7-11(21)20-3-1-8(2-4-20)13(22)23/h5-6,8H,1-4,7H2,(H,22,23)/p-1