(4-methoxyphenyl)methyl (6R,7S)-7-[[(2Z)-2-[[2,5-bis(fluoranyl)-3,4-bis(2-methoxyethoxymethoxy)phenyl]methoxyimino]-2-[2-[(triphenylmethyl)amino]-1,3-thiazol-4-yl]ethanoyl]amino]-8-oxidanylidene-3-[(E)-3-quinolin-1-ium-1-ylprop-1-enyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: (4-methoxyphenyl)methyl (6R,7S)-7-[[(2Z)-2-[[2,5-bis(fluoranyl)-3,4-bis(2-methoxyethoxymethoxy)phenyl]methoxyimino]-2-[2-[(triphenylmethyl)amino]-1,3-thiazol-4-yl]ethanoyl]amino]-8-oxidanylidene-3-[(E)-3-quinolin-1-ium-1-ylprop-1-enyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: (4-methoxyphenyl)methyl (6R,7S)-7-[[(2Z)-2-[[2,5-difluoro-3,4-bis(2-methoxyethoxymethoxy)phenyl]methoxyimino]-2-[2-(tritylamino)thiazol-4-yl]acetyl]amino]-8-oxo-3-[(E)-3-quinolin-1-ium-1-ylprop-1-enyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: (6R,7S)-7-[[(2Z)-2-[[2,5-difluoro-3,4-bis(2-methoxyethoxymethoxy)phenyl]methoxyimino]-1-oxo-2-[2-[(triphenylmethyl)amino]-4-thiazolyl]ethyl]amino]-8-oxo-3-[(E)-3-(1-quinolin-1-iumyl)prop-1-enyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (4-methoxyphenyl)methyl ester IUPAC Name: (4-methoxyphenyl)methyl (6R,7S)-7-[[(2Z)-2-[[2,5-difluoro-3,4-bis(2-methoxyethoxymethoxy)phenyl]methoxyimino]-2-[2-(tritylamino)-1,3-thiazol-4-yl]acetyl]amino]-8-oxo-3-[(E)-3-quinolin-1-ium-1-ylprop-1-enyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: (6R,7S)-7-[[(2Z)-2-[2,5-difluoro-3,4-bis(2-methoxyethoxymethoxy)benzyl]oximino-2-[2-(tritylamino)thiazol-4-yl]acetyl]amino]-8-keto-3-[(E)-3-quinolin-1-ium-1-ylprop-1-enyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid p-anisyl ester Formula: C66H63F2N6O12S2+ MolecularWeight: 1234.366226

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Descriptors Computed from Structure

Canonical SMILES:

COCCOCOC1=C(C=C(C(=C1OCOCCOC)F)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)C=CC[N+]8=CC=CC9=CC=CC=C98)C(=O)OCC1=CC=C(C=C1)OC)F

Isomeric SMILES

COCCOCOC1=C(C=C(C(=C1OCOCCOC)F)CO/N=C(/C2=CSC(=N2)NC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)\C(=O)N[C@@H]6[C@@H]7N(C6=O)C(=C(CS7)/C=C/C[N+]8=CC=CC9=CC=CC=C98)C(=O)OCC1=CC=C(C=C1)OC)F

InChI

InChI=1S/C66H62F2N6O12S2/c1-78-33-35-81-42-84-59-52(67)37-47(55(68)60(59)85-43-82-36-34-79-2)39-86-72-56(53-41-88-65(69-53)71-66(48-20-7-4-8-21-48,49-22-9-5-10-23-49)50-24-11-6-12-25-50)61(75)70-57-62(76)74-58(64(77)83-38-44-27-29-51(80-3)30-28-44)46(40-87-63(57)74)19-16-32-73-31-15-18-45-17-13-14-26-54(45)73/h4-31,37,41,57,63H,32-36,38-40,42-43H2,1-3H3,(H-,69,70,71,75)/p+1/b19-16+,72-56-/t57-,63+/m0/s1