4-methylsulfanyl-2-[[3-(trifluoromethyl)phenyl]carbamoylamino]butanoic acid

Systemtic Name: 4-methylsulfanyl-2-[[3-(trifluoromethyl)phenyl]carbamoylamino]butanoic acid Openeye Name: 4-methylsulfanyl-2-[[3-(trifluoromethyl)phenyl]carbamoylamino]butanoic acid CAS Name: 4-(methylthio)-2-[[oxo-[3-(trifluoromethyl)anilino]methyl]amino]butanoic acid IUPAC Name: 4-methylsulfanyl-2-[[3-(trifluoromethyl)phenyl]carbamoylamino]butanoic acid Traditional Name: 4-(methylthio)-2-[[3-(trifluoromethyl)phenyl]carbamoylamino]butyric acid Formula: C13H15F3N2O3S MolecularWeight: 336.33001

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NC(=O)NC1=CC=CC(=C1)C(F)(F)F

Isomeric SMILES

CSCCC(C(=O)O)NC(=O)NC1=CC=CC(=C1)C(F)(F)F

InChI

InChI=1S/C13H15F3N2O3S/c1-22-6-5-10(11(19)20)18-12(21)17-9-4-2-3-8(7-9)13(14,15)16/h2-4,7,10H,5-6H2,1H3,(H,19,20)(H2,17,18,21)