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

Systemtic Name: tert-butyl (6R,7S)-3-(acetyloxymethyl)-7-azido-7-methoxy-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: tert-butyl (6R,7S)-3-(acetoxymethyl)-7-azido-7-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: (6R,7S)-3-(acetyloxymethyl)-7-azido-7-methoxy-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-azido-7-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: (6R,7S)-3-(acetoxymethyl)-7-azido-8-keto-7-methoxy-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid tert-butyl ester Formula: C15H20N4O6S MolecularWeight: 384.4075

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1=C(N2C(C(C2=O)(N=[N+]=[N-])OC)SC1)C(=O)OC(C)(C)C

Isomeric SMILES

CC(=O)OCC1=C(N2[C@@H]([C@@](C2=O)(N=[N+]=[N-])OC)SC1)C(=O)OC(C)(C)C

InChI

InChI=1S/C15H20N4O6S/c1-8(20)24-6-9-7-26-13-15(23-5,17-18-16)12(22)19(13)10(9)11(21)25-14(2,3)4/h13H,6-7H2,1-5H3/t13-,15+/m1/s1