(2S)-3-methyl-2-[5-(trifluoromethyl)pyridin-2-yl]sulfanyl-butanoate

Systemtic Name: (2S)-3-methyl-2-[5-(trifluoromethyl)pyridin-2-yl]sulfanyl-butanoate Openeye Name: (2S)-3-methyl-2-[[5-(trifluoromethyl)-2-pyridyl]sulfanyl]butanoate CAS Name: (2S)-3-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]thio]butanoate IUPAC Name: (2S)-3-methyl-2-[5-(trifluoromethyl)pyridin-2-yl]sulfanylbutanoate Traditional Name: (2S)-3-methyl-2-[[5-(trifluoromethyl)-2-pyridyl]thio]butyrate Formula: C11H11F3NO2S- MolecularWeight: 278.27075

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)[O-])SC1=NC=C(C=C1)C(F)(F)F

Isomeric SMILES

CC(C)[C@@H](C(=O)[O-])SC1=NC=C(C=C1)C(F)(F)F

InChI

InChI=1S/C11H12F3NO2S/c1-6(2)9(10(16)17)18-8-4-3-7(5-15-8)11(12,13)14/h3-6,9H,1-2H3,(H,16,17)/p-1/t9-/m0/s1