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

Systemtic Name: tert-butyl (6R,7S)-3-(acetyloxymethyl)-8-oxidanylidene-7-phenylmethoxy-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: tert-butyl (6R,7S)-3-(acetoxymethyl)-7-benzyloxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: (6R,7S)-3-(acetyloxymethyl)-8-oxo-7-phenylmethoxy-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-phenylmethoxy-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: (6R,7S)-3-(acetoxymethyl)-7-benzoxy-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid tert-butyl ester Formula: C21H25NO6S MolecularWeight: 419.4913

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1=C(N2C(C(C2=O)OCC3=CC=CC=C3)SC1)C(=O)OC(C)(C)C

Isomeric SMILES

CC(=O)OCC1=C(N2[C@@H]([C@H](C2=O)OCC3=CC=CC=C3)SC1)C(=O)OC(C)(C)C

InChI

InChI=1S/C21H25NO6S/c1-13(23)26-11-15-12-29-19-17(27-10-14-8-6-5-7-9-14)18(24)22(19)16(15)20(25)28-21(2,3)4/h5-9,17,19H,10-12H2,1-4H3/t17-,19+/m0/s1