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

Systemtic Name: tert-butyl (6R,7S)-3-(acetyloxymethyl)-8-oxidanylidene-7-propyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: tert-butyl (6R,7S)-3-(acetoxymethyl)-8-oxo-7-propyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: (6R,7S)-3-(acetyloxymethyl)-8-oxo-7-propyl-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-propyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: (6R,7S)-3-(acetoxymethyl)-8-keto-7-propyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid tert-butyl ester Formula: C17H25NO5S MolecularWeight: 355.4491

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1C2N(C1=O)C(=C(CS2)COC(=O)C)C(=O)OC(C)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C17H25NO5S/c1-6-7-12-14(20)18-13(16(21)23-17(3,4)5)11(8-22-10(2)19)9-24-15(12)18/h12,15H,6-9H2,1-5H3/t12-,15+/m0/s1