ethyl (5S,6S)-1,4-dimethyl-3-oxidanylidene-6-(phenylcarbonyloxy)-1,4-diazepane-5-carboxylate

Systemtic Name: ethyl (5S,6S)-1,4-dimethyl-3-oxidanylidene-6-(phenylcarbonyloxy)-1,4-diazepane-5-carboxylate Openeye Name: ethyl (5S,6S)-6-benzoyloxy-1,4-dimethyl-3-oxo-1,4-diazepane-5-carboxylate CAS Name: (5S,6S)-6-benzoyloxy-1,4-dimethyl-3-oxo-1,4-diazepane-5-carboxylic acid ethyl ester IUPAC Name: ethyl (5S,6S)-6-benzoyloxy-1,4-dimethyl-3-oxo-1,4-diazepane-5-carboxylate Traditional Name: (5S,6S)-6-benzoyloxy-3-keto-1,4-dimethyl-1,4-diazepane-5-carboxylic acid ethyl ester Formula: C17H22N2O5 MolecularWeight: 334.36698

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(CN(CC(=O)N1C)C)OC(=O)C2=CC=CC=C2

Isomeric SMILES

CCOC(=O)[C@@H]1[C@H](CN(CC(=O)N1C)C)OC(=O)C2=CC=CC=C2

InChI

InChI=1S/C17H22N2O5/c1-4-23-17(22)15-13(10-18(2)11-14(20)19(15)3)24-16(21)12-8-6-5-7-9-12/h5-9,13,15H,4,10-11H2,1-3H3/t13-,15-/m0/s1