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

Systemtic Name: tert-butyl (6R,7S)-3-(acetyloxymethyl)-7-butoxy-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: tert-butyl (6R,7S)-3-(acetoxymethyl)-7-butoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: (6R,7S)-3-(acetyloxymethyl)-7-butoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (6R,7S)-3-(acetyloxymethyl)-7-butoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: (6R,7S)-3-(acetoxymethyl)-7-butoxy-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid tert-butyl ester Formula: C18H27NO6S MolecularWeight: 385.47508

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1C2N(C1=O)C(=C(CS2)COC(=O)C)C(=O)OC(C)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C18H27NO6S/c1-6-7-8-23-14-15(21)19-13(17(22)25-18(3,4)5)12(9-24-11(2)20)10-26-16(14)19/h14,16H,6-10H2,1-5H3/t14-,16+/m0/s1