(4-methoxyphenyl)methyl (6R,7R)-3-(chloromethyl)-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-(chloromethyl)-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-(chloromethyl)-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-(chloromethyl)-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-(chloromethyl)-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)-3-(chloromethyl)-8-keto-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: C59H48ClN5O6S2 MolecularWeight: 1022.62532

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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)CCl

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)CCl

InChI

InChI=1S/C59H48ClN5O6S2/c1-69-48-34-32-40(33-35-48)37-70-56(68)52-41(36-60)38-72-55-51(54(67)65(52)55)62-53(66)50(64-71-59(45-26-14-5-15-27-45,46-28-16-6-17-29-46)47-30-18-7-19-31-47)49-39-73-57(61-49)63-58(42-20-8-2-9-21-42,43-22-10-3-11-23-43)44-24-12-4-13-25-44/h2-35,39,51,55H,36-38H2,1H3,(H,61,63)(H,62,66)/b64-50-/t51-,55-/m1/s1