(4-methoxyphenyl)methyl (6R,7R)-3-[(Z)-2-(3-methyl-1,2-oxazol-5-yl)ethenyl]-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-methoxyphenyl)methyl (6R,7R)-3-[(Z)-2-(3-methyl-1,2-oxazol-5-yl)ethenyl]-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-methoxyphenyl)methyl (6R,7R)-3-[(Z)-2-(3-methylisoxazol-5-yl)vinyl]-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-[(Z)-2-(3-methyl-5-isoxazolyl)ethenyl]-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-methoxyphenyl)methyl ester IUPAC Name: (4-methoxyphenyl)methyl (6R,7R)-3-[(Z)-2-(3-methyl-1,2-oxazol-5-yl)ethenyl]-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)-8-keto-3-[(Z)-2-(3-methylisoxazol-5-yl)vinyl]-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 p-anisyl ester Formula: C64H52N6O7S2 MolecularWeight: 1081.26368

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=C1)C=CC2=C(N3C(C(C3=O)NC(=O)C(=NOC(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)C7=CSC(=N7)NC(C8=CC=CC=C8)(C9=CC=CC=C9)C1=CC=CC=C1)SC2)C(=O)OCC1=CC=C(C=C1)OC

Isomeric SMILES

CC1=NOC(=C1)/C=C\C2=C(N3[C@@H]([C@@H](C3=O)NC(=O)/C(=N\OC(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)/C7=CSC(=N7)NC(C8=CC=CC=C8)(C9=CC=CC=C9)C1=CC=CC=C1)SC2)C(=O)OCC1=CC=C(C=C1)OC

InChI

InChI=1S/C64H52N6O7S2/c1-43-39-53(76-68-43)38-35-45-41-78-60-56(59(72)70(60)57(45)61(73)75-40-44-33-36-52(74-2)37-34-44)66-58(71)55(69-77-64(49-27-15-6-16-28-49,50-29-17-7-18-30-50)51-31-19-8-20-32-51)54-42-79-62(65-54)67-63(46-21-9-3-10-22-46,47-23-11-4-12-24-47)48-25-13-5-14-26-48/h3-39,42,56,60H,40-41H2,1-2H3,(H,65,67)(H,66,71)/b38-35-,69-55-/t56-,60-/m1/s1