tert-butyl (2S)-2-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-thiophen-2-yl-propanoate

Systemtic Name: tert-butyl (2S)-2-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-thiophen-2-yl-propanoate Openeye Name: tert-butyl (2S)-2-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-(2-thienyl)propanoate CAS Name: (2S)-2-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-thiophen-2-ylpropanoic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-2-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-thiophen-2-ylpropanoate Traditional Name: (2S)-2-[3,5-bis(trifluoromethyl)benzyl]-3-(2-thienyl)propionic acid tert-butyl ester Formula: C20H20F6O2S MolecularWeight: 438.427019

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(CC1=CC=CS1)CC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F

Isomeric SMILES

CC(C)(C)OC(=O)[C@H](CC1=CC=CS1)CC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C20H20F6O2S/c1-18(2,3)28-17(27)13(10-16-5-4-6-29-16)7-12-8-14(19(21,22)23)11-15(9-12)20(24,25)26/h4-6,8-9,11,13H,7,10H2,1-3H3/t13-/m0/s1