2-(4-chlorophenyl)sulfanylethyl 2-methyl-2-[5-(trifluoromethyl)pyridin-2-yl]sulfonyl-propanoate

Systemtic Name: 2-(4-chlorophenyl)sulfanylethyl 2-methyl-2-[5-(trifluoromethyl)pyridin-2-yl]sulfonyl-propanoate Openeye Name: 2-(4-chlorophenyl)sulfanylethyl 2-methyl-2-[[5-(trifluoromethyl)-2-pyridyl]sulfonyl]propanoate CAS Name: 2-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]propanoic acid 2-[(4-chlorophenyl)thio]ethyl ester IUPAC Name: 2-(4-chlorophenyl)sulfanylethyl 2-methyl-2-[5-(trifluoromethyl)pyridin-2-yl]sulfonylpropanoate Traditional Name: 2-methyl-2-[[5-(trifluoromethyl)-2-pyridyl]sulfonyl]propionic acid 2-[(4-chlorophenyl)thio]ethyl ester Formula: C18H17ClF3NO4S2 MolecularWeight: 467.91009

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)OCCSC1=CC=C(C=C1)Cl)S(=O)(=O)C2=NC=C(C=C2)C(F)(F)F

Isomeric SMILES

CC(C)(C(=O)OCCSC1=CC=C(C=C1)Cl)S(=O)(=O)C2=NC=C(C=C2)C(F)(F)F

InChI

InChI=1S/C18H17ClF3NO4S2/c1-17(2,16(24)27-9-10-28-14-6-4-13(19)5-7-14)29(25,26)15-8-3-12(11-23-15)18(20,21)22/h3-8,11H,9-10H2,1-2H3