(phenylmethyl) (2S,5R,6S)-6-acetyloxy-3,3-dimethyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate

Systemtic Name: (phenylmethyl) (2S,5R,6S)-6-acetyloxy-3,3-dimethyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Openeye Name: benzyl (2S,5R,6S)-6-acetoxy-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate CAS Name: (2S,5R,6S)-6-acetyloxy-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (2S,5R,6S)-6-acetyloxy-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Traditional Name: (2S,5R,6S)-6-acetoxy-7-keto-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid benzyl ester Formula: C17H19NO5S MolecularWeight: 349.40146

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1C2N(C1=O)C(C(S2)(C)C)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC(=O)O[C@@H]1[C@@H]2N(C1=O)[C@H](C(S2)(C)C)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C17H19NO5S/c1-10(19)23-12-14(20)18-13(17(2,3)24-15(12)18)16(21)22-9-11-7-5-4-6-8-11/h4-8,12-13,15H,9H2,1-3H3/t12-,13-,15+/m0/s1