(4-nitrophenyl)methyl (2S,3S,5S)-3-methyl-3-[[5-[(4-nitrophenyl)methoxycarbonyl]-1,2,3-triazol-1-yl]methyl]-4,4,7-tris(oxidanylidene)-4$l^{6}-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate

Systemtic Name: (4-nitrophenyl)methyl (2S,3S,5S)-3-methyl-3-[[5-[(4-nitrophenyl)methoxycarbonyl]-1,2,3-triazol-1-yl]methyl]-4,4,7-tris(oxidanylidene)-4$l^{6}-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Openeye Name: (4-nitrophenyl)methyl (2S,3S,5S)-3-methyl-3-[[5-[(4-nitrophenyl)methoxycarbonyl]triazol-1-yl]methyl]-4,4,7-trioxo-4$l^{6}-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate CAS Name: (2S,3S,5S)-3-methyl-3-[[5-[(4-nitrophenyl)methoxy-oxomethyl]-1-triazolyl]methyl]-4,4,7-trioxo-4$l^{6}-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl (2S,3S,5S)-3-methyl-3-[[5-[(4-nitrophenyl)methoxycarbonyl]triazol-1-yl]methyl]-4,4,7-trioxo-4$l^{6}-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Traditional Name: (2S,3S,5S)-4,4,7-triketo-3-methyl-3-[[5-(4-nitrobenzyl)oxycarbonyltriazol-1-yl]methyl]-4$l^{6}-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid (4-nitrobenzyl) ester Formula: C25H22N6O11S MolecularWeight: 614.54078

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N2C(S1(=O)=O)CC2=O)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])CN4C(=CN=N4)C(=O)OCC5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

C[C@@]1([C@@H](N2[C@@H](S1(=O)=O)CC2=O)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])CN4C(=CN=N4)C(=O)OCC5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C25H22N6O11S/c1-25(14-28-19(11-26-27-28)23(33)41-12-15-2-6-17(7-3-15)30(35)36)22(29-20(32)10-21(29)43(25,39)40)24(34)42-13-16-4-8-18(9-5-16)31(37)38/h2-9,11,21-22H,10,12-14H2,1H3/t21-,22-,25-/m0/s1