4-methylsulfanyl-2-[[6-(trifluoromethyl)pyridin-3-yl]carbonylamino]butanoic acid

Systemtic Name: 4-methylsulfanyl-2-[[6-(trifluoromethyl)pyridin-3-yl]carbonylamino]butanoic acid Openeye Name: 4-methylsulfanyl-2-[[6-(trifluoromethyl)pyridine-3-carbonyl]amino]butanoic acid CAS Name: 4-(methylthio)-2-[[oxo-[6-(trifluoromethyl)-3-pyridinyl]methyl]amino]butanoic acid IUPAC Name: 4-methylsulfanyl-2-[[6-(trifluoromethyl)pyridine-3-carbonyl]amino]butanoic acid Traditional Name: 4-(methylthio)-2-[[6-(trifluoromethyl)nicotinoyl]amino]butyric acid Formula: C12H13F3N2O3S MolecularWeight: 322.30343

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NC(=O)C1=CN=C(C=C1)C(F)(F)F

Isomeric SMILES

CSCCC(C(=O)O)NC(=O)C1=CN=C(C=C1)C(F)(F)F

InChI

InChI=1S/C12H13F3N2O3S/c1-21-5-4-8(11(19)20)17-10(18)7-2-3-9(16-6-7)12(13,14)15/h2-3,6,8H,4-5H2,1H3,(H,17,18)(H,19,20)