tert-butyl 4-[[3-(trifluoromethylsulfanyl)phenyl]carbamoylamino]butanoate

Systemtic Name: tert-butyl 4-[[3-(trifluoromethylsulfanyl)phenyl]carbamoylamino]butanoate Openeye Name: tert-butyl 4-[[3-(trifluoromethylsulfanyl)phenyl]carbamoylamino]butanoate CAS Name: 4-[[oxo-[3-(trifluoromethylthio)anilino]methyl]amino]butanoic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[3-(trifluoromethylsulfanyl)phenyl]carbamoylamino]butanoate Traditional Name: 4-[[3-(trifluoromethylthio)phenyl]carbamoylamino]butyric acid tert-butyl ester Formula: C16H21F3N2O3S MolecularWeight: 378.40975

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CCCNC(=O)NC1=CC(=CC=C1)SC(F)(F)F

Isomeric SMILES

CC(C)(C)OC(=O)CCCNC(=O)NC1=CC(=CC=C1)SC(F)(F)F

InChI

InChI=1S/C16H21F3N2O3S/c1-15(2,3)24-13(22)8-5-9-20-14(23)21-11-6-4-7-12(10-11)25-16(17,18)19/h4,6-7,10H,5,8-9H2,1-3H3,(H2,20,21,23)