(diphenylmethyl) 7-[[(2E)-2-[[3,4-bis(2-methoxyethoxymethoxy)phenyl]methoxyimino]-2-[2-[(triphenylmethyl)amino]-1,3-thiazol-4-yl]ethanoyl]amino]-3-(chloromethyl)-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: (diphenylmethyl) 7-[[(2E)-2-[[3,4-bis(2-methoxyethoxymethoxy)phenyl]methoxyimino]-2-[2-[(triphenylmethyl)amino]-1,3-thiazol-4-yl]ethanoyl]amino]-3-(chloromethyl)-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: benzhydryl 7-[[(2E)-2-[[3,4-bis(2-methoxyethoxymethoxy)phenyl]methoxyimino]-2-[2-(tritylamino)thiazol-4-yl]acetyl]amino]-3-(chloromethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 7-[[(2E)-2-[[3,4-bis(2-methoxyethoxymethoxy)phenyl]methoxyimino]-1-oxo-2-[2-[(triphenylmethyl)amino]-4-thiazolyl]ethyl]amino]-3-(chloromethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (diphenylmethyl) ester IUPAC Name: benzhydryl 7-[[(2E)-2-[[3,4-bis(2-methoxyethoxymethoxy)phenyl]methoxyimino]-2-[2-(tritylamino)-1,3-thiazol-4-yl]acetyl]amino]-3-(chloromethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 7-[[(2E)-2-[3,4-bis(2-methoxyethoxymethoxy)benzyl]oximino-2-[2-(tritylamino)thiazol-4-yl]acetyl]amino]-3-(chloromethyl)-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid benzhydryl ester Formula: C60H58ClN5O11S2 MolecularWeight: 1124.71242

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Descriptors Computed from Structure

Canonical SMILES:

COCCOCOC1=C(C=C(C=C1)CON=C(C2=CSC(=N2)NC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)C(=O)NC6C7N(C6=O)C(=C(CS7)CCl)C(=O)OC(C8=CC=CC=C8)C9=CC=CC=C9)OCOCCOC

Isomeric SMILES

COCCOCOC1=C(C=C(C=C1)CO/N=C(\C2=CSC(=N2)NC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)/C(=O)NC6C7N(C6=O)C(=C(CS7)CCl)C(=O)OC(C8=CC=CC=C8)C9=CC=CC=C9)OCOCCOC

InChI

InChI=1S/C60H58ClN5O11S2/c1-70-30-32-72-39-74-49-29-28-41(34-50(49)75-40-73-33-31-71-2)36-76-65-51(48-38-79-59(62-48)64-60(45-22-12-5-13-23-45,46-24-14-6-15-25-46)47-26-16-7-17-27-47)55(67)63-52-56(68)66-53(44(35-61)37-78-57(52)66)58(69)77-54(42-18-8-3-9-19-42)43-20-10-4-11-21-43/h3-29,34,38,52,54,57H,30-33,35-37,39-40H2,1-2H3,(H,62,64)(H,63,67)/b65-51+