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

Systemtic Name: ethyl 4-[2-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]sulfanylethanoylamino]piperidine-1-carboxylate Openeye Name: ethyl 4-[[2-[[3-chloro-5-(trifluoromethyl)-2-pyridyl]sulfanyl]acetyl]amino]piperidine-1-carboxylate CAS Name: 4-[[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]thio]-1-oxoethyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanylacetyl]amino]piperidine-1-carboxylate Traditional Name: 4-[[2-[[3-chloro-5-(trifluoromethyl)-2-pyridyl]thio]acetyl]amino]piperidine-1-carboxylic acid ethyl ester Formula: C16H19ClF3N3O3S MolecularWeight: 425.85357

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)NC(=O)CSC2=C(C=C(C=N2)C(F)(F)F)Cl

Isomeric SMILES

CCOC(=O)N1CCC(CC1)NC(=O)CSC2=C(C=C(C=N2)C(F)(F)F)Cl

InChI

InChI=1S/C16H19ClF3N3O3S/c1-2-26-15(25)23-5-3-11(4-6-23)22-13(24)9-27-14-12(17)7-10(8-21-14)16(18,19)20/h7-8,11H,2-6,9H2,1H3,(H,22,24)