(diphenylmethyl) 7-[[(2Z)-2-[2-azanyl-3-[2-(diphenylmethyl)phenyl]-2H-1,3-thiazol-4-yl]-2-[2-(diphenylmethyl)oxy-2-oxidanylidene-1-phenyl-ethoxy]imino-ethanoyl]amino]-3-(iodanylmethyl)-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: (diphenylmethyl) 7-[[(2Z)-2-[2-azanyl-3-[2-(diphenylmethyl)phenyl]-2H-1,3-thiazol-4-yl]-2-[2-(diphenylmethyl)oxy-2-oxidanylidene-1-phenyl-ethoxy]imino-ethanoyl]amino]-3-(iodanylmethyl)-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: benzhydryl 7-[[(2Z)-2-[2-amino-3-(2-benzhydrylphenyl)-2H-thiazol-4-yl]-2-(2-benzhydryloxy-2-oxo-1-phenyl-ethoxy)imino-acetyl]amino]-3-(iodomethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 7-[[(2Z)-2-[2-amino-3-[2-(diphenylmethyl)phenyl]-2H-thiazol-4-yl]-2-[2-(diphenylmethyl)oxy-2-oxo-1-phenylethoxy]imino-1-oxoethyl]amino]-3-(iodomethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (diphenylmethyl) ester IUPAC Name: benzhydryl 7-[[(2Z)-2-[2-amino-3-(2-benzhydrylphenyl)-2H-1,3-thiazol-4-yl]-2-(2-benzhydryloxy-2-oxo-1-phenylethoxy)iminoacetyl]amino]-3-(iodomethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 7-[[(2Z)-2-[2-amino-3-(2-benzhydrylphenyl)-4-thiazolin-4-yl]-2-(2-benzhydryloxy-2-keto-1-phenyl-ethyl)oximino-acetyl]amino]-3-(iodomethyl)-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid benzhydryl ester Formula: C66H54IN5O7S2 MolecularWeight: 1220.19873

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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)C(=O)OC(C4=CC=CC=C4)C5=CC=CC=C5)C6=CSC(N6C7=CC=CC=C7C(C8=CC=CC=C8)C9=CC=CC=C9)N)C(=O)OC(C1=CC=CC=C1)C1=CC=CC=C1)CI

Isomeric SMILES

C1C(=C(N2C(S1)C(C2=O)NC(=O)/C(=N\OC(C3=CC=CC=C3)C(=O)OC(C4=CC=CC=C4)C5=CC=CC=C5)/C6=CSC(N6C7=CC=CC=C7C(C8=CC=CC=C8)C9=CC=CC=C9)N)C(=O)OC(C1=CC=CC=C1)C1=CC=CC=C1)CI

InChI

InChI=1S/C66H54IN5O7S2/c67-40-50-41-80-63-56(62(74)72(63)57(50)64(75)77-58(45-28-12-3-13-29-45)46-30-14-4-15-31-46)69-61(73)55(70-79-60(49-36-20-7-21-37-49)65(76)78-59(47-32-16-5-17-33-47)48-34-18-6-19-35-48)53-42-81-66(68)71(53)52-39-23-22-38-51(52)54(43-24-8-1-9-25-43)44-26-10-2-11-27-44/h1-39,42,54,56,58-60,63,66H,40-41,68H2,(H,69,73)/b70-55-