O1-ethyl O6-methyl 2-pyridin-2-ylsulfanyl-2-[2,2,2-tris(fluoranyl)ethanoyloxy]hexanedioate

Systemtic Name: O1-ethyl O6-methyl 2-pyridin-2-ylsulfanyl-2-[2,2,2-tris(fluoranyl)ethanoyloxy]hexanedioate Openeye Name: O1-ethyl O6-methyl 2-(2-pyridylsulfanyl)-2-(2,2,2-trifluoroacetyl)oxy-hexanedioate CAS Name: 2-(2-pyridinylthio)-2-(2,2,2-trifluoro-1-oxoethoxy)hexanedioic acid O1-ethyl ester O6-methyl ester IUPAC Name: 1-O-ethyl 6-O-methyl 2-pyridin-2-ylsulfanyl-2-(2,2,2-trifluoroacetyl)oxyhexanedioate Traditional Name: 2-(2-pyridylthio)-2-(2,2,2-trifluoroacetyl)oxy-adipic acid O1-ethyl ester O6-methyl ester Formula: C16H18F3NO6S MolecularWeight: 409.37743

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCCC(=O)OC)(OC(=O)C(F)(F)F)SC1=CC=CC=N1

Isomeric SMILES

CCOC(=O)C(CCCC(=O)OC)(OC(=O)C(F)(F)F)SC1=CC=CC=N1

InChI

InChI=1S/C16H18F3NO6S/c1-3-25-13(22)15(9-6-8-12(21)24-2,26-14(23)16(17,18)19)27-11-7-4-5-10-20-11/h4-5,7,10H,3,6,8-9H2,1-2H3