methyl 4-[3-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]sulfanyl-2-oxidanyl-propoxy]benzoate

Systemtic Name: methyl 4-[3-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]sulfanyl-2-oxidanyl-propoxy]benzoate Openeye Name: methyl 4-[3-[[3-chloro-5-(trifluoromethyl)-2-pyridyl]sulfanyl]-2-hydroxy-propoxy]benzoate CAS Name: 4-[3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]thio]-2-hydroxypropoxy]benzoic acid methyl ester IUPAC Name: methyl 4-[3-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanyl-2-hydroxypropoxy]benzoate Traditional Name: 4-[3-[[3-chloro-5-(trifluoromethyl)-2-pyridyl]thio]-2-hydroxy-propoxy]benzoic acid methyl ester Formula: C17H15ClF3NO4S MolecularWeight: 421.81851

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)OCC(CSC2=C(C=C(C=N2)C(F)(F)F)Cl)O

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)OCC(CSC2=C(C=C(C=N2)C(F)(F)F)Cl)O

InChI

InChI=1S/C17H15ClF3NO4S/c1-25-16(24)10-2-4-13(5-3-10)26-8-12(23)9-27-15-14(18)6-11(7-22-15)17(19,20)21/h2-7,12,23H,8-9H2,1H3