tert-butyl 3-(1H-indol-3-yl)-2-[[2-(trifluoromethylsulfanyl)phenyl]methoxycarbonylamino]propanoate

Systemtic Name: tert-butyl 3-(1H-indol-3-yl)-2-[[2-(trifluoromethylsulfanyl)phenyl]methoxycarbonylamino]propanoate Openeye Name: tert-butyl 3-(1H-indol-3-yl)-2-[[2-(trifluoromethylsulfanyl)phenyl]methoxycarbonylamino]propanoate CAS Name: 3-(1H-indol-3-yl)-2-[[oxo-[[2-(trifluoromethylthio)phenyl]methoxy]methyl]amino]propanoic acid tert-butyl ester IUPAC Name: tert-butyl 3-(1H-indol-3-yl)-2-[[2-(trifluoromethylsulfanyl)phenyl]methoxycarbonylamino]propanoate Traditional Name: 3-(1H-indol-3-yl)-2-[[2-(trifluoromethylthio)benzyl]oxycarbonylamino]propionic acid tert-butyl ester Formula: C24H25F3N2O4S MolecularWeight: 494.52651

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)OCC3=CC=CC=C3SC(F)(F)F

Isomeric SMILES

CC(C)(C)OC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)OCC3=CC=CC=C3SC(F)(F)F

InChI

InChI=1S/C24H25F3N2O4S/c1-23(2,3)33-21(30)19(12-16-13-28-18-10-6-5-9-17(16)18)29-22(31)32-14-15-8-4-7-11-20(15)34-24(25,26)27/h4-11,13,19,28H,12,14H2,1-3H3,(H,29,31)