tert-butyl (6R,7S)-3-(1-acetyloxy-4-oxidanylidene-4-phenylmethoxy-butyl)-7-isocyano-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: tert-butyl (6R,7S)-3-(1-acetyloxy-4-oxidanylidene-4-phenylmethoxy-butyl)-7-isocyano-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: tert-butyl (6R,7S)-3-(1-acetoxy-4-benzyloxy-4-oxo-butyl)-7-isocyano-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: (6R,7S)-3-(1-acetyloxy-4-oxo-4-phenylmethoxybutyl)-7-isocyano-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-(1-acetyloxy-4-oxo-4-phenylmethoxybutyl)-7-isocyano-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: (6R,7S)-3-(1-acetoxy-4-benzoxy-4-keto-butyl)-7-isocyano-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid tert-butyl ester Formula: C25H28N2O7S MolecularWeight: 500.56402

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC(CCC(=O)OCC1=CC=CC=C1)C2=C(N3C(C(C3=O)[N+]#[C-])SC2)C(=O)OC(C)(C)C

Isomeric SMILES

CC(=O)OC(CCC(=O)OCC1=CC=CC=C1)C2=C(N3[C@@H]([C@H](C3=O)[N+]#[C-])SC2)C(=O)OC(C)(C)C

InChI

InChI=1S/C25H28N2O7S/c1-15(28)33-18(11-12-19(29)32-13-16-9-7-6-8-10-16)17-14-35-23-20(26-5)22(30)27(23)21(17)24(31)34-25(2,3)4/h6-10,18,20,23H,11-14H2,1-4H3/t18?,20-,23+/m0/s1