(4-nitrophenyl)methyl (4S,5R,6S)-3-[3-(1,3-benzothiazol-2-ylsulfanyl)prop-1-ynyl]-4-methyl-7-oxidanylidene-6-[(1R)-1-triethylsilyloxyethyl]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

Systemtic Name: (4-nitrophenyl)methyl (4S,5R,6S)-3-[3-(1,3-benzothiazol-2-ylsulfanyl)prop-1-ynyl]-4-methyl-7-oxidanylidene-6-[(1R)-1-triethylsilyloxyethyl]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Openeye Name: (4-nitrophenyl)methyl (4S,5R,6S)-3-[3-(1,3-benzothiazol-2-ylsulfanyl)prop-1-ynyl]-4-methyl-7-oxo-6-[(1R)-1-triethylsilyloxyethyl]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate CAS Name: (4S,5R,6S)-3-[3-(1,3-benzothiazol-2-ylthio)prop-1-ynyl]-4-methyl-7-oxo-6-[(1R)-1-triethylsilyloxyethyl]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl (4S,5R,6S)-3-[3-(1,3-benzothiazol-2-ylsulfanyl)prop-1-ynyl]-4-methyl-7-oxo-6-[(1R)-1-triethylsilyloxyethyl]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Traditional Name: (4S,5R,6S)-3-[3-(1,3-benzothiazol-2-ylthio)prop-1-ynyl]-7-keto-4-methyl-6-[(1R)-1-triethylsilyloxyethyl]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid (4-nitrobenzyl) ester Formula: C33H37N3O6S2Si MolecularWeight: 663.87888

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Descriptors Computed from Structure

Canonical SMILES:

CC[Si](CC)(CC)OC(C)C1C2C(C(=C(N2C1=O)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])C#CCSC4=NC5=CC=CC=C5S4)C

Isomeric SMILES

CC[Si](CC)(CC)O[C@H](C)[C@@H]1[C@H]2[C@H](C(=C(N2C1=O)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])C#CCSC4=NC5=CC=CC=C5S4)C

InChI

InChI=1S/C33H37N3O6S2Si/c1-6-45(7-2,8-3)42-22(5)28-29-21(4)25(12-11-19-43-33-34-26-13-9-10-14-27(26)44-33)30(35(29)31(28)37)32(38)41-20-23-15-17-24(18-16-23)36(39)40/h9-10,13-18,21-22,28-29H,6-8,19-20H2,1-5H3/t21-,22+,28+,29+/m0/s1