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

Systemtic Name: 4-methylsulfanyl-2-[[4-(trifluoromethyloxy)phenyl]carbamoylamino]butanoic acid Openeye Name: 4-methylsulfanyl-2-[[4-(trifluoromethoxy)phenyl]carbamoylamino]butanoic acid CAS Name: 4-(methylthio)-2-[[oxo-[4-(trifluoromethoxy)anilino]methyl]amino]butanoic acid IUPAC Name: 4-methylsulfanyl-2-[[4-(trifluoromethoxy)phenyl]carbamoylamino]butanoic acid Traditional Name: 4-(methylthio)-2-[[4-(trifluoromethoxy)phenyl]carbamoylamino]butyric acid Formula: C13H15F3N2O4S MolecularWeight: 352.32941

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15F3N2O4S/c1-23-7-6-10(11(19)20)18-12(21)17-8-2-4-9(5-3-8)22-13(14,15)16/h2-5,10H,6-7H2,1H3,(H,19,20)(H2,17,18,21)