4-methylsulfanyl-2-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethanoylamino]butanoic acid

Systemtic Name: 4-methylsulfanyl-2-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethanoylamino]butanoic acid Openeye Name: 4-methylsulfanyl-2-[[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]butanoic acid CAS Name: 4-(methylthio)-2-[[1-oxo-2-[3-(trifluoromethyl)-1-pyrazolyl]ethyl]amino]butanoic acid IUPAC Name: 4-methylsulfanyl-2-[[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]butanoic acid Traditional Name: 4-(methylthio)-2-[[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]butyric acid Formula: C11H14F3N3O3S MolecularWeight: 325.30737

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NC(=O)CN1C=CC(=N1)C(F)(F)F

Isomeric SMILES

CSCCC(C(=O)O)NC(=O)CN1C=CC(=N1)C(F)(F)F

InChI

InChI=1S/C11H14F3N3O3S/c1-21-5-3-7(10(19)20)15-9(18)6-17-4-2-8(16-17)11(12,13)14/h2,4,7H,3,5-6H2,1H3,(H,15,18)(H,19,20)