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

Systemtic Name: tert-butyl (6R,7S)-3-(acetyloxymethyl)-7-butyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: tert-butyl (6R,7S)-3-(acetoxymethyl)-7-butyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: (6R,7S)-3-(acetyloxymethyl)-7-butyl-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-butyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: (6R,7S)-3-(acetoxymethyl)-7-butyl-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid tert-butyl ester Formula: C18H27NO5S MolecularWeight: 369.47568

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1C2N(C1=O)C(=C(CS2)COC(=O)C)C(=O)OC(C)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C18H27NO5S/c1-6-7-8-13-15(21)19-14(17(22)24-18(3,4)5)12(9-23-11(2)20)10-25-16(13)19/h13,16H,6-10H2,1-5H3/t13-,16+/m0/s1