6-[5-methoxycarbonyl-1-[(4-nitrophenyl)methoxycarbonyl]pyrrolidin-3-yl]-6-(7-methylsulfanyl-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-[5-methoxycarbonyl-1-[(4-nitrophenyl)methoxycarbonyl]pyrrolidin-3-yl]-6-(7-methylsulfanyl-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-[5-methoxycarbonyl-1-[(4-nitrophenyl)methoxycarbonyl]pyrrolidin-3-yl]-6-(7-methylsulfanyl-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-[5-methoxycarbonyl-1-[(4-nitrophenyl)methoxy-oxomethyl]-3-pyrrolidinyl]-6-[7-(methylthio)-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-[5-methoxycarbonyl-1-[(4-nitrophenyl)methoxycarbonyl]pyrrolidin-3-yl]-6-(7-methylsulfanyl-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-[5-carbomethoxy-1-(4-nitrobenzyl)oxycarbonyl-pyrrolidin-3-yl]-7-keto-6-[7-(methylthio)-6H-imidazo[5,1-b]thiazol-4-ium-2-yl]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Formula: C27H26N5O9S2+ MolecularWeight: 628.65344

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC(CN1C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])C3(C4CC=C(N4C3=O)C(=O)O)C5=C[N+]6=CNC(=C6S5)SC

Isomeric SMILES

COC(=O)C1CC(CN1C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])C3(C4CC=C(N4C3=O)C(=O)O)C5=C[N+]6=CNC(=C6S5)SC

InChI

InChI=1S/C27H25N5O9S2/c1-40-24(35)18-9-15(10-30(18)26(37)41-12-14-3-5-16(6-4-14)32(38)39)27(19-8-7-17(23(33)34)31(19)25(27)36)20-11-29-13-28-21(42-2)22(29)43-20/h3-7,11,13,15,18-19H,8-10,12H2,1-2H3,(H,33,34)/p+1