6-[1,5-bis[(4-nitrophenyl)methoxycarbonyl]pyrrolidin-3-yl]-6-(6H-imidazo[5,1-b][1,3]thiazol-4-ium-2-yl)-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

Systemtic Name: 6-[1,5-bis[(4-nitrophenyl)methoxycarbonyl]pyrrolidin-3-yl]-6-(6H-imidazo[5,1-b][1,3]thiazol-4-ium-2-yl)-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Openeye Name: 6-[1,5-bis[(4-nitrophenyl)methoxycarbonyl]pyrrolidin-3-yl]-6-(6H-imidazo[5,1-b]thiazol-4-ium-2-yl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid CAS Name: 6-[1,5-bis[(4-nitrophenyl)methoxy-oxomethyl]-3-pyrrolidinyl]-6-(6H-imidazo[5,1-b]thiazol-4-ium-2-yl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid IUPAC Name: 6-[1,5-bis[(4-nitrophenyl)methoxycarbonyl]pyrrolidin-3-yl]-6-(6H-imidazo[5,1-b][1,3]thiazol-4-ium-2-yl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Traditional Name: 6-[1,5-bis[(4-nitrobenzyl)oxycarbonyl]pyrrolidin-3-yl]-6-(6H-imidazo[5,1-b]thiazol-4-ium-2-yl)-7-keto-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Formula: C32H27N6O11S+ MolecularWeight: 703.65538

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Descriptors Computed from Structure

Canonical SMILES:

C1C=C(N2C1C(C2=O)(C3CC(N(C3)C(=O)OCC4=CC=C(C=C4)[N+](=O)[O-])C(=O)OCC5=CC=C(C=C5)[N+](=O)[O-])C6=C[N+]7=CNC=C7S6)C(=O)O

Isomeric SMILES

C1C=C(N2C1C(C2=O)(C3CC(N(C3)C(=O)OCC4=CC=C(C=C4)[N+](=O)[O-])C(=O)OCC5=CC=C(C=C5)[N+](=O)[O-])C6=C[N+]7=CNC=C7S6)C(=O)O

InChI

InChI=1S/C32H26N6O11S/c39-28(40)23-9-10-25-32(30(42)36(23)25,26-14-34-17-33-12-27(34)50-26)20-11-24(29(41)48-15-18-1-5-21(6-2-18)37(44)45)35(13-20)31(43)49-16-19-3-7-22(8-4-19)38(46)47/h1-9,12,14,17,20,24-25H,10-11,13,15-16H2,(H,39,40)/p+1