ditert-butyl (4S,5E)-6-oxidanylidene-5-(phenylmethylidene)-1,3-oxazinane-3,4-dicarboxylate

Systemtic Name: ditert-butyl (4S,5E)-6-oxidanylidene-5-(phenylmethylidene)-1,3-oxazinane-3,4-dicarboxylate Openeye Name: ditert-butyl (4S,5E)-5-benzylidene-6-oxo-1,3-oxazinane-3,4-dicarboxylate CAS Name: (4S,5E)-6-oxo-5-(phenylmethylene)-1,3-oxazinane-3,4-dicarboxylic acid ditert-butyl ester IUPAC Name: ditert-butyl (4S,5E)-5-benzylidene-6-oxo-1,3-oxazinane-3,4-dicarboxylate Traditional Name: (4S,5E)-5-benzal-6-keto-1,3-oxazinane-3,4-dicarboxylic acid ditert-butyl ester Formula: C21H27NO6 MolecularWeight: 389.44218

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1C(=CC2=CC=CC=C2)C(=O)OCN1C(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)OC(=O)[C@@H]1/C(=C\C2=CC=CC=C2)/C(=O)OCN1C(=O)OC(C)(C)C

InChI

InChI=1S/C21H27NO6/c1-20(2,3)27-18(24)16-15(12-14-10-8-7-9-11-14)17(23)26-13-22(16)19(25)28-21(4,5)6/h7-12,16H,13H2,1-6H3/b15-12+/t16-/m0/s1