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

Systemtic Name: tert-butyl (6R,7S)-3-(acetyloxymethyl)-8-oxidanylidene-7-phenethyloxy-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: tert-butyl (6R,7S)-3-(acetoxymethyl)-8-oxo-7-phenethyloxy-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: (6R,7S)-3-(acetyloxymethyl)-8-oxo-7-phenethyloxy-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-phenethyloxy-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: (6R,7S)-3-(acetoxymethyl)-8-keto-7-phenethyloxy-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid tert-butyl ester Formula: C22H27NO6S MolecularWeight: 433.51788

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1=C(N2C(C(C2=O)OCCC3=CC=CC=C3)SC1)C(=O)OC(C)(C)C

Isomeric SMILES

CC(=O)OCC1=C(N2[C@@H]([C@H](C2=O)OCCC3=CC=CC=C3)SC1)C(=O)OC(C)(C)C

InChI

InChI=1S/C22H27NO6S/c1-14(24)28-12-16-13-30-20-18(27-11-10-15-8-6-5-7-9-15)19(25)23(20)17(16)21(26)29-22(2,3)4/h5-9,18,20H,10-13H2,1-4H3/t18-,20+/m0/s1