methyl (2S)-2-(2-tert-butylsulfonylprop-2-enoxycarbonylamino)-3-phenyl-propanoate

Systemtic Name: methyl (2S)-2-(2-tert-butylsulfonylprop-2-enoxycarbonylamino)-3-phenyl-propanoate Openeye Name: methyl (2S)-2-(2-tert-butylsulfonylallyloxycarbonylamino)-3-phenyl-propanoate CAS Name: (2S)-2-[[2-tert-butylsulfonylprop-2-enoxy(oxo)methyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-2-(2-tert-butylsulfonylprop-2-enoxycarbonylamino)-3-phenylpropanoate Traditional Name: (2S)-2-(2-tert-butylsulfonylallyloxycarbonylamino)-3-phenyl-propionic acid methyl ester Formula: C18H25NO6S MolecularWeight: 383.4592

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)S(=O)(=O)C(=C)COC(=O)NC(CC1=CC=CC=C1)C(=O)OC

Isomeric SMILES

CC(C)(C)S(=O)(=O)C(=C)COC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)OC

InChI

InChI=1S/C18H25NO6S/c1-13(26(22,23)18(2,3)4)12-25-17(21)19-15(16(20)24-5)11-14-9-7-6-8-10-14/h6-10,15H,1,11-12H2,2-5H3,(H,19,21)/t15-/m0/s1