O6-methyl O1-prop-2-enyl (2S,6S)-2-(4-chlorophenyl)-4-oxidanylidene-1,3-diazinane-1,6-dicarboxylate

Systemtic Name: O6-methyl O1-prop-2-enyl (2S,6S)-2-(4-chlorophenyl)-4-oxidanylidene-1,3-diazinane-1,6-dicarboxylate Openeye Name: O1-allyl O6-methyl (2S,6S)-2-(4-chlorophenyl)-4-oxo-hexahydropyrimidine-1,6-dicarboxylate CAS Name: (2S,6S)-2-(4-chlorophenyl)-4-oxo-1,3-diazinane-1,6-dicarboxylic acid O6-methyl ester O1-prop-2-enyl ester IUPAC Name: 6-O-methyl 1-O-prop-2-enyl (2S,6S)-2-(4-chlorophenyl)-4-oxo-1,3-diazinane-1,6-dicarboxylate Traditional Name: (2S,6S)-2-(4-chlorophenyl)-4-keto-hexahydropyrimidine-1,6-dicarboxylic acid O1-allyl ester O6-methyl ester Formula: C16H17ClN2O5 MolecularWeight: 352.76958

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC(=O)NC(N1C(=O)OCC=C)C2=CC=C(C=C2)Cl

Isomeric SMILES

COC(=O)[C@@H]1CC(=O)N[C@@H](N1C(=O)OCC=C)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C16H17ClN2O5/c1-3-8-24-16(22)19-12(15(21)23-2)9-13(20)18-14(19)10-4-6-11(17)7-5-10/h3-7,12,14H,1,8-9H2,2H3,(H,18,20)/t12-,14-/m0/s1