methyl 6-[[3-(trifluoromethylsulfanyl)phenyl]carbamoylamino]hexanoate

Systemtic Name: methyl 6-[[3-(trifluoromethylsulfanyl)phenyl]carbamoylamino]hexanoate Openeye Name: methyl 6-[[3-(trifluoromethylsulfanyl)phenyl]carbamoylamino]hexanoate CAS Name: 6-[[oxo-[3-(trifluoromethylthio)anilino]methyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[[3-(trifluoromethylsulfanyl)phenyl]carbamoylamino]hexanoate Traditional Name: 6-[[3-(trifluoromethylthio)phenyl]carbamoylamino]hexanoic acid methyl ester Formula: C15H19F3N2O3S MolecularWeight: 364.38317

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCNC(=O)NC1=CC(=CC=C1)SC(F)(F)F

Isomeric SMILES

COC(=O)CCCCCNC(=O)NC1=CC(=CC=C1)SC(F)(F)F

InChI

InChI=1S/C15H19F3N2O3S/c1-23-13(21)8-3-2-4-9-19-14(22)20-11-6-5-7-12(10-11)24-15(16,17)18/h5-7,10H,2-4,8-9H2,1H3,(H2,19,20,22)