(4-nitrophenyl)methyl (6R,7R)-3-chloranyl-8-oxidanylidene-7-[[(2Z)-2-[2-[(triphenylmethyl)amino]-1,3-thiazol-4-yl]-2-(triphenylmethyl)oxyimino-ethanoyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: (4-nitrophenyl)methyl (6R,7R)-3-chloranyl-8-oxidanylidene-7-[[(2Z)-2-[2-[(triphenylmethyl)amino]-1,3-thiazol-4-yl]-2-(triphenylmethyl)oxyimino-ethanoyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: (4-nitrophenyl)methyl (6R,7R)-3-chloro-8-oxo-7-[[(2Z)-2-[2-(tritylamino)thiazol-4-yl]-2-trityloxyimino-acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: (6R,7R)-3-chloro-8-oxo-7-[[(2Z)-1-oxo-2-[2-[(triphenylmethyl)amino]-4-thiazolyl]-2-(triphenylmethyl)oxyiminoethyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl (6R,7R)-3-chloro-8-oxo-7-[[(2Z)-2-[2-(tritylamino)-1,3-thiazol-4-yl]-2-trityloxyiminoacetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: (6R,7R)-3-chloro-8-keto-7-[[(2Z)-2-[2-(tritylamino)thiazol-4-yl]-2-trityloximino-acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (4-nitrobenzyl) ester Formula: C57H43ClN6O7S2 MolecularWeight: 1023.57032

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=C(N2C(S1)C(C2=O)NC(=O)C(=NOC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)C6=CSC(=N6)NC(C7=CC=CC=C7)(C8=CC=CC=C8)C9=CC=CC=C9)C(=O)OCC1=CC=C(C=C1)[N+](=O)[O-])Cl

Isomeric SMILES

C1C(=C(N2[C@H](S1)[C@@H](C2=O)NC(=O)/C(=N\OC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)/C6=CSC(=N6)NC(C7=CC=CC=C7)(C8=CC=CC=C8)C9=CC=CC=C9)C(=O)OCC1=CC=C(C=C1)[N+](=O)[O-])Cl

InChI

InChI=1S/C57H43ClN6O7S2/c58-46-36-72-53-49(52(66)63(53)50(46)54(67)70-35-38-31-33-45(34-32-38)64(68)69)60-51(65)48(62-71-57(42-25-13-4-14-26-42,43-27-15-5-16-28-43)44-29-17-6-18-30-44)47-37-73-55(59-47)61-56(39-19-7-1-8-20-39,40-21-9-2-10-22-40)41-23-11-3-12-24-41/h1-34,37,49,53H,35-36H2,(H,59,61)(H,60,65)/b62-48-/t49-,53-/m1/s1