(4-nitrophenyl)methyl (2S,3S,5S)-3-[(5-ethoxycarbonyl-1,2,3-triazol-1-yl)methyl]-3-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-[(5-ethoxycarbonyl-1,2,3-triazol-1-yl)methyl]-3-methyl-4,4,7-tris(oxidanylidene)-4$l^{6}-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Openeye Name: (4-nitrophenyl)methyl (2S,3S,5S)-3-[(5-ethoxycarbonyltriazol-1-yl)methyl]-3-methyl-4,4,7-trioxo-4$l^{6}-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate CAS Name: (2S,3S,5S)-3-[(5-ethoxycarbonyl-1-triazolyl)methyl]-3-methyl-4,4,7-trioxo-4$l^{6}-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl (2S,3S,5S)-3-[(5-ethoxycarbonyltriazol-1-yl)methyl]-3-methyl-4,4,7-trioxo-4$l^{6}-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Traditional Name: (2S,3S,5S)-3-[(5-carbethoxytriazol-1-yl)methyl]-4,4,7-triketo-3-methyl-4$l^{6}-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid (4-nitrobenzyl) ester Formula: C20H21N5O9S MolecularWeight: 507.47384

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=NN1CC2(C(N3C(S2(=O)=O)CC3=O)C(=O)OCC4=CC=C(C=C4)[N+](=O)[O-])C

Isomeric SMILES

CCOC(=O)C1=CN=NN1C[C@]2([C@@H](N3[C@@H](S2(=O)=O)CC3=O)C(=O)OCC4=CC=C(C=C4)[N+](=O)[O-])C

InChI

InChI=1S/C20H21N5O9S/c1-3-33-18(27)14-9-21-22-23(14)11-20(2)17(24-15(26)8-16(24)35(20,31)32)19(28)34-10-12-4-6-13(7-5-12)25(29)30/h4-7,9,16-17H,3,8,10-11H2,1-2H3/t16-,17-,20-/m0/s1