tert-butyl (6R,7S)-3-(acetyloxymethyl)-8-oxidanylidene-7-propanoyloxy-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: tert-butyl (6R,7S)-3-(acetyloxymethyl)-8-oxidanylidene-7-propanoyloxy-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: tert-butyl (6R,7S)-3-(acetoxymethyl)-8-oxo-7-propanoyloxy-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: (6R,7S)-3-(acetyloxymethyl)-8-oxo-7-(1-oxopropoxy)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (6R,7S)-3-(acetyloxymethyl)-8-oxo-7-propanoyloxy-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: (6R,7S)-3-(acetoxymethyl)-8-keto-7-propionyloxy-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid tert-butyl ester Formula: C17H23NO7S MolecularWeight: 385.43202

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OC1C2N(C1=O)C(=C(CS2)COC(=O)C)C(=O)OC(C)(C)C

Isomeric SMILES

CCC(=O)O[C@@H]1[C@@H]2N(C1=O)C(=C(CS2)COC(=O)C)C(=O)OC(C)(C)C

InChI

InChI=1S/C17H23NO7S/c1-6-11(20)24-13-14(21)18-12(16(22)25-17(3,4)5)10(7-23-9(2)19)8-26-15(13)18/h13,15H,6-8H2,1-5H3/t13-,15+/m0/s1