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

Systemtic Name: ethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[4-(phenylsulfonyloxy)phenyl]propanoate Openeye Name: ethyl 3-[4-(benzenesulfonyloxy)phenyl]-2-(tert-butoxycarbonylamino)propanoate CAS Name: 3-[4-(benzenesulfonyloxy)phenyl]-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[4-(benzenesulfonyloxy)phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate Traditional Name: 3-(4-besyloxyphenyl)-2-(tert-butoxycarbonylamino)propionic acid ethyl ester Formula: C22H27NO7S MolecularWeight: 449.51728

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC=C(C=C1)OS(=O)(=O)C2=CC=CC=C2)NC(=O)OC(C)(C)C

Isomeric SMILES

CCOC(=O)C(CC1=CC=C(C=C1)OS(=O)(=O)C2=CC=CC=C2)NC(=O)OC(C)(C)C

InChI

InChI=1S/C22H27NO7S/c1-5-28-20(24)19(23-21(25)29-22(2,3)4)15-16-11-13-17(14-12-16)30-31(26,27)18-9-7-6-8-10-18/h6-14,19H,5,15H2,1-4H3,(H,23,25)