(4-methoxyphenyl)methyl 3-[(E)-3-(dimethylcarbamoyloxy)prop-1-enyl]-8-oxidanylidene-7-[[(2E)-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 3-[(E)-3-(dimethylcarbamoyloxy)prop-1-enyl]-8-oxidanylidene-7-[[(2E)-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 3-[(E)-3-(dimethylcarbamoyloxy)prop-1-enyl]-8-oxo-7-[[(2E)-2-[2-(tritylamino)thiazol-4-yl]-2-trityloxyimino-acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 3-[(E)-3-[dimethylamino(oxo)methoxy]prop-1-enyl]-8-oxo-7-[[(2E)-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 3-[(E)-3-(dimethylcarbamoyloxy)prop-1-enyl]-8-oxo-7-[[(2E)-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: 3-[(E)-3-(dimethylcarbamoyloxy)prop-1-enyl]-8-keto-7-[[(2E)-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: C64H56N6O8S2 MolecularWeight: 1101.29484

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)OCC=CC1=C(N2C(C(C2=O)NC(=O)C(=NOC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)C6=CSC(=N6)NC(C7=CC=CC=C7)(C8=CC=CC=C8)C9=CC=CC=C9)SC1)C(=O)OCC1=CC=C(C=C1)OC

Isomeric SMILES

CN(C)C(=O)OC/C=C/C1=C(N2C(C(C2=O)NC(=O)/C(=N/OC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)/C6=CSC(=N6)NC(C7=CC=CC=C7)(C8=CC=CC=C8)C9=CC=CC=C9)SC1)C(=O)OCC1=CC=C(C=C1)OC

InChI

InChI=1S/C64H56N6O8S2/c1-69(2)62(74)76-40-22-23-45-42-79-59-55(58(72)70(59)56(45)60(73)77-41-44-36-38-52(75-3)39-37-44)66-57(71)54(68-78-64(49-30-16-7-17-31-49,50-32-18-8-19-33-50)51-34-20-9-21-35-51)53-43-80-61(65-53)67-63(46-24-10-4-11-25-46,47-26-12-5-13-27-47)48-28-14-6-15-29-48/h4-39,43,55,59H,40-42H2,1-3H3,(H,65,67)(H,66,71)/b23-22+,68-54+