tert-butyl (2S)-2-(2-ethenylsulfonylethoxycarbonylamino)-3-(4-hydroxyphenyl)propanoate

Systemtic Name: tert-butyl (2S)-2-(2-ethenylsulfonylethoxycarbonylamino)-3-(4-hydroxyphenyl)propanoate Openeye Name: tert-butyl (2S)-3-(4-hydroxyphenyl)-2-(2-vinylsulfonylethoxycarbonylamino)propanoate CAS Name: (2S)-2-[[2-ethenylsulfonylethoxy(oxo)methyl]amino]-3-(4-hydroxyphenyl)propanoic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-2-(2-ethenylsulfonylethoxycarbonylamino)-3-(4-hydroxyphenyl)propanoate Traditional Name: (2S)-3-(4-hydroxyphenyl)-2-(2-vinylsulfonylethoxycarbonylamino)propionic acid tert-butyl ester Formula: C18H25NO7S MolecularWeight: 399.4586

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(CC1=CC=C(C=C1)O)NC(=O)OCCS(=O)(=O)C=C

Isomeric SMILES

CC(C)(C)OC(=O)[C@H](CC1=CC=C(C=C1)O)NC(=O)OCCS(=O)(=O)C=C

InChI

InChI=1S/C18H25NO7S/c1-5-27(23,24)11-10-25-17(22)19-15(16(21)26-18(2,3)4)12-13-6-8-14(20)9-7-13/h5-9,15,20H,1,10-12H2,2-4H3,(H,19,22)/t15-/m0/s1