methyl 3-cyclopentyl-2-[3-(trifluoromethylsulfanyl)phenyl]propanoate

Systemtic Name: methyl 3-cyclopentyl-2-[3-(trifluoromethylsulfanyl)phenyl]propanoate Openeye Name: methyl 3-cyclopentyl-2-[3-(trifluoromethylsulfanyl)phenyl]propanoate CAS Name: 3-cyclopentyl-2-[3-(trifluoromethylthio)phenyl]propanoic acid methyl ester IUPAC Name: methyl 3-cyclopentyl-2-[3-(trifluoromethylsulfanyl)phenyl]propanoate Traditional Name: 3-cyclopentyl-2-[3-(trifluoromethylthio)phenyl]propionic acid methyl ester Formula: C16H19F3O2S MolecularWeight: 332.38107

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1CCCC1)C2=CC(=CC=C2)SC(F)(F)F

Isomeric SMILES

COC(=O)C(CC1CCCC1)C2=CC(=CC=C2)SC(F)(F)F

InChI

InChI=1S/C16H19F3O2S/c1-21-15(20)14(9-11-5-2-3-6-11)12-7-4-8-13(10-12)22-16(17,18)19/h4,7-8,10-11,14H,2-3,5-6,9H2,1H3