ethyl (2R,3R,6S)-6-methyl-3-oxidanyl-8-oxidanylidene-7-phenyl-1,7-diazabicyclo[4.2.0]octane-2-carboxylate

Systemtic Name: ethyl (2R,3R,6S)-6-methyl-3-oxidanyl-8-oxidanylidene-7-phenyl-1,7-diazabicyclo[4.2.0]octane-2-carboxylate Openeye Name: ethyl (2R,3R,6S)-3-hydroxy-6-methyl-8-oxo-7-phenyl-1,7-diazabicyclo[4.2.0]octane-2-carboxylate CAS Name: (2R,3R,6S)-3-hydroxy-6-methyl-8-oxo-7-phenyl-1,7-diazabicyclo[4.2.0]octane-2-carboxylic acid ethyl ester IUPAC Name: ethyl (2R,3R,6S)-3-hydroxy-6-methyl-8-oxo-7-phenyl-1,7-diazabicyclo[4.2.0]octane-2-carboxylate Traditional Name: (2R,3R,6S)-3-hydroxy-8-keto-6-methyl-7-phenyl-1,7-diazabicyclo[4.2.0]octane-2-carboxylic acid ethyl ester Formula: C16H20N2O4 MolecularWeight: 304.341

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(CCC2(N1C(=O)N2C3=CC=CC=C3)C)O

Isomeric SMILES

CCOC(=O)[C@H]1[C@@H](CC[C@]2(N1C(=O)N2C3=CC=CC=C3)C)O

InChI

InChI=1S/C16H20N2O4/c1-3-22-14(20)13-12(19)9-10-16(2)17(15(21)18(13)16)11-7-5-4-6-8-11/h4-8,12-13,19H,3,9-10H2,1-2H3/t12-,13-,16-/m1/s1