3-methyl-2-[2-[3-(trifluoromethyl)phenyl]sulfanylethylamino]butanoic acid

Systemtic Name: 3-methyl-2-[2-[3-(trifluoromethyl)phenyl]sulfanylethylamino]butanoic acid Openeye Name: 3-methyl-2-[2-[3-(trifluoromethyl)phenyl]sulfanylethylamino]butanoic acid CAS Name: 3-methyl-2-[2-[[3-(trifluoromethyl)phenyl]thio]ethylamino]butanoic acid IUPAC Name: 3-methyl-2-[2-[3-(trifluoromethyl)phenyl]sulfanylethylamino]butanoic acid Traditional Name: 3-methyl-2-[2-[[3-(trifluoromethyl)phenyl]thio]ethylamino]butyric acid Formula: C14H18F3NO2S MolecularWeight: 321.35843

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NCCSC1=CC=CC(=C1)C(F)(F)F

Isomeric SMILES

CC(C)C(C(=O)O)NCCSC1=CC=CC(=C1)C(F)(F)F

InChI

InChI=1S/C14H18F3NO2S/c1-9(2)12(13(19)20)18-6-7-21-11-5-3-4-10(8-11)14(15,16)17/h3-5,8-9,12,18H,6-7H2,1-2H3,(H,19,20)