4-(4-tert-butylphenyl)-4-oxidanylidene-2-[5-(trifluoromethyl)pyridin-2-yl]sulfanyl-butanoic acid

Systemtic Name: 4-(4-tert-butylphenyl)-4-oxidanylidene-2-[5-(trifluoromethyl)pyridin-2-yl]sulfanyl-butanoic acid Openeye Name: 4-(4-tert-butylphenyl)-4-oxo-2-[[5-(trifluoromethyl)-2-pyridyl]sulfanyl]butanoic acid CAS Name: 4-(4-tert-butylphenyl)-4-oxo-2-[[5-(trifluoromethyl)-2-pyridinyl]thio]butanoic acid IUPAC Name: 4-(4-tert-butylphenyl)-4-oxo-2-[5-(trifluoromethyl)pyridin-2-yl]sulfanylbutanoic acid Traditional Name: 4-(4-tert-butylphenyl)-4-keto-2-[[5-(trifluoromethyl)-2-pyridyl]thio]butyric acid Formula: C20H20F3NO3S MolecularWeight: 411.43791

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)CC(C(=O)O)SC2=NC=C(C=C2)C(F)(F)F

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)CC(C(=O)O)SC2=NC=C(C=C2)C(F)(F)F

InChI

InChI=1S/C20H20F3NO3S/c1-19(2,3)13-6-4-12(5-7-13)15(25)10-16(18(26)27)28-17-9-8-14(11-24-17)20(21,22)23/h4-9,11,16H,10H2,1-3H3,(H,26,27)