methyl 6-[2-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]sulfanylethanoylamino]hexanoate

Systemtic Name: methyl 6-[2-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]sulfanylethanoylamino]hexanoate Openeye Name: methyl 6-[[2-[[3-chloro-5-(trifluoromethyl)-2-pyridyl]sulfanyl]acetyl]amino]hexanoate CAS Name: 6-[[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]thio]-1-oxoethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[[2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanylacetyl]amino]hexanoate Traditional Name: 6-[[2-[[3-chloro-5-(trifluoromethyl)-2-pyridyl]thio]acetyl]amino]hexanoic acid methyl ester Formula: C15H18ClF3N2O3S MolecularWeight: 398.82823

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCNC(=O)CSC1=C(C=C(C=N1)C(F)(F)F)Cl

Isomeric SMILES

COC(=O)CCCCCNC(=O)CSC1=C(C=C(C=N1)C(F)(F)F)Cl

InChI

InChI=1S/C15H18ClF3N2O3S/c1-24-13(23)5-3-2-4-6-20-12(22)9-25-14-11(16)7-10(8-21-14)15(17,18)19/h7-8H,2-6,9H2,1H3,(H,20,22)