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

Systemtic Name: ethyl 1-[2-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]sulfanylethanoyl]piperidine-4-carboxylate Openeye Name: ethyl 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-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 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]isonipecotic acid ethyl ester Formula: C16H18ClF3N2O3S MolecularWeight: 410.83893

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)CSC2=C(C=C(C=N2)C(F)(F)F)Cl

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)CSC2=C(C=C(C=N2)C(F)(F)F)Cl

InChI

InChI=1S/C16H18ClF3N2O3S/c1-2-25-15(24)10-3-5-22(6-4-10)13(23)9-26-14-12(17)7-11(8-21-14)16(18,19)20/h7-8,10H,2-6,9H2,1H3