ethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[4-(trifluoromethylsulfonyl)phenyl]propanoate

Systemtic Name: ethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[4-(trifluoromethylsulfonyl)phenyl]propanoate Openeye Name: ethyl 2-(tert-butoxycarbonylamino)-3-[4-(trifluoromethylsulfonyl)phenyl]propanoate CAS Name: 2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-[4-(trifluoromethylsulfonyl)phenyl]propanoic acid ethyl ester IUPAC Name: ethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[4-(trifluoromethylsulfonyl)phenyl]propanoate Traditional Name: 2-(tert-butoxycarbonylamino)-3-(4-triflylphenyl)propionic acid ethyl ester Formula: C17H22F3NO6S MolecularWeight: 425.41989

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC=C(C=C1)S(=O)(=O)C(F)(F)F)NC(=O)OC(C)(C)C

Isomeric SMILES

CCOC(=O)C(CC1=CC=C(C=C1)S(=O)(=O)C(F)(F)F)NC(=O)OC(C)(C)C

InChI

InChI=1S/C17H22F3NO6S/c1-5-26-14(22)13(21-15(23)27-16(2,3)4)10-11-6-8-12(9-7-11)28(24,25)17(18,19)20/h6-9,13H,5,10H2,1-4H3,(H,21,23)