2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-(trifluoromethyl)phenyl]methylsulfanyl]propanoate

Systemtic Name: 2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-(trifluoromethyl)phenyl]methylsulfanyl]propanoate Openeye Name: 2-[[2-(tert-butoxycarbonylamino)-5-(trifluoromethyl)phenyl]methylsulfanyl]propanoate CAS Name: 2-[[2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-5-(trifluoromethyl)phenyl]methylthio]propanoate IUPAC Name: 2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-(trifluoromethyl)phenyl]methylsulfanyl]propanoate Traditional Name: 2-[[2-(tert-butoxycarbonylamino)-5-(trifluoromethyl)benzyl]thio]propionate Formula: C16H19F3NO4S- MolecularWeight: 378.38657

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)[O-])SCC1=C(C=CC(=C1)C(F)(F)F)NC(=O)OC(C)(C)C

Isomeric SMILES

CC(C(=O)[O-])SCC1=C(C=CC(=C1)C(F)(F)F)NC(=O)OC(C)(C)C

InChI

InChI=1S/C16H20F3NO4S/c1-9(13(21)22)25-8-10-7-11(16(17,18)19)5-6-12(10)20-14(23)24-15(2,3)4/h5-7,9H,8H2,1-4H3,(H,20,23)(H,21,22)/p-1