[(Z)-3-[(6R,7R)-2-[(4-methoxyphenyl)methoxycarbonyl]-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-en-3-yl]prop-2-enyl] morpholine-4-carboxylate

Systemtic Name: [(Z)-3-[(6R,7R)-2-[(4-methoxyphenyl)methoxycarbonyl]-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-en-3-yl]prop-2-enyl] morpholine-4-carboxylate Openeye Name: [(Z)-3-[(6R,7R)-2-[(4-methoxyphenyl)methoxycarbonyl]-8-oxo-7-[[(2Z)-2-[2-(tritylamino)thiazol-4-yl]-2-trityloxyimino-acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]allyl] morpholine-4-carboxylate CAS Name: 4-morpholinecarboxylic acid [(Z)-3-[(6R,7R)-2-[(4-methoxyphenyl)methoxy-oxomethyl]-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-en-3-yl]prop-2-enyl] ester IUPAC Name: [(Z)-3-[(6R,7R)-2-[(4-methoxyphenyl)methoxycarbonyl]-8-oxo-7-[[(2Z)-2-[2-(tritylamino)-1,3-thiazol-4-yl]-2-trityloxyiminoacetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]prop-2-enyl] morpholine-4-carboxylate Traditional Name: morpholine-4-carboxylic acid [(Z)-3-[(6R,7R)-8-keto-2-p-anisyloxycarbonyl-7-[[(2Z)-2-[2-(tritylamino)thiazol-4-yl]-2-trityloximino-acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]allyl] ester Formula: C66H58N6O9S2 MolecularWeight: 1143.33152

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)COC(=O)C2=C(CSC3N2C(=O)C3NC(=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)C=CCOC(=O)N1CCOCC1

Isomeric SMILES

COC1=CC=C(C=C1)COC(=O)C2=C(CS[C@H]3N2C(=O)[C@H]3NC(=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)/C=C\COC(=O)N1CCOCC1

InChI

InChI=1S/C66H58N6O9S2/c1-77-54-36-34-46(35-37-54)43-80-62(75)58-47(21-20-40-79-64(76)71-38-41-78-42-39-71)44-82-61-57(60(74)72(58)61)68-59(73)56(70-81-66(51-28-14-5-15-29-51,52-30-16-6-17-31-52)53-32-18-7-19-33-53)55-45-83-63(67-55)69-65(48-22-8-2-9-23-48,49-24-10-3-11-25-49)50-26-12-4-13-27-50/h2-37,45,57,61H,38-44H2,1H3,(H,67,69)(H,68,73)/b21-20-,70-56-/t57-,61-/m1/s1