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

Systemtic Name: 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-(trifluoromethyl)phenyl]sulfanylpropanoate Openeye Name: 2-[2-(tert-butoxycarbonylamino)-5-(trifluoromethyl)phenyl]sulfanylpropanoate CAS Name: 2-[[2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-5-(trifluoromethyl)phenyl]thio]propanoate IUPAC Name: 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-(trifluoromethyl)phenyl]sulfanylpropanoate Traditional Name: 2-[[2-(tert-butoxycarbonylamino)-5-(trifluoromethyl)phenyl]thio]propionate Formula: C15H17F3NO4S- MolecularWeight: 364.35999

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)[O-])SC1=C(C=CC(=C1)C(F)(F)F)NC(=O)OC(C)(C)C

Isomeric SMILES

CC(C(=O)[O-])SC1=C(C=CC(=C1)C(F)(F)F)NC(=O)OC(C)(C)C

InChI

InChI=1S/C15H18F3NO4S/c1-8(12(20)21)24-11-7-9(15(16,17)18)5-6-10(11)19-13(22)23-14(2,3)4/h5-8H,1-4H3,(H,19,22)(H,20,21)/p-1