(diphenylmethyl) 7-[[(2E)-2-[2-(diphenylmethyl)oxy-2-oxidanylidene-ethoxy]imino-2-[2-[(triphenylmethyl)amino]-1,3-thiazol-4-yl]ethanoyl]amino]-8-oxidanylidene-3-prop-2-enylsulfanyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: (diphenylmethyl) 7-[[(2E)-2-[2-(diphenylmethyl)oxy-2-oxidanylidene-ethoxy]imino-2-[2-[(triphenylmethyl)amino]-1,3-thiazol-4-yl]ethanoyl]amino]-8-oxidanylidene-3-prop-2-enylsulfanyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: benzhydryl 3-allylsulfanyl-7-[[(2E)-2-(2-benzhydryloxy-2-oxo-ethoxy)imino-2-[2-(tritylamino)thiazol-4-yl]acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 7-[[(2E)-2-[2-(diphenylmethyl)oxy-2-oxoethoxy]imino-1-oxo-2-[2-[(triphenylmethyl)amino]-4-thiazolyl]ethyl]amino]-8-oxo-3-(prop-2-enylthio)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (diphenylmethyl) ester IUPAC Name: benzhydryl 7-[[(2E)-2-(2-benzhydryloxy-2-oxoethoxy)imino-2-[2-(tritylamino)-1,3-thiazol-4-yl]acetyl]amino]-8-oxo-3-prop-2-enylsulfanyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 3-(allylthio)-7-[[(2E)-2-(2-benzhydryloxy-2-keto-ethyl)oximino-2-[2-(tritylamino)thiazol-4-yl]acetyl]amino]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid benzhydryl ester Formula: C62H51N5O7S3 MolecularWeight: 1074.29264

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Descriptors Computed from Structure

Canonical SMILES:

C=CCSC1=C(N2C(C(C2=O)NC(=O)C(=NOCC(=O)OC(C3=CC=CC=C3)C4=CC=CC=C4)C5=CSC(=N5)NC(C6=CC=CC=C6)(C7=CC=CC=C7)C8=CC=CC=C8)SC1)C(=O)OC(C9=CC=CC=C9)C1=CC=CC=C1

Isomeric SMILES

C=CCSC1=C(N2C(C(C2=O)NC(=O)/C(=N/OCC(=O)OC(C3=CC=CC=C3)C4=CC=CC=C4)/C5=CSC(=N5)NC(C6=CC=CC=C6)(C7=CC=CC=C7)C8=CC=CC=C8)SC1)C(=O)OC(C9=CC=CC=C9)C1=CC=CC=C1

InChI

InChI=1S/C62H51N5O7S3/c1-2-38-75-50-41-76-59-53(58(70)67(59)54(50)60(71)74-56(44-28-14-5-15-29-44)45-30-16-6-17-31-45)64-57(69)52(66-72-39-51(68)73-55(42-24-10-3-11-25-42)43-26-12-4-13-27-43)49-40-77-61(63-49)65-62(46-32-18-7-19-33-46,47-34-20-8-21-35-47)48-36-22-9-23-37-48/h2-37,40,53,55-56,59H,1,38-39,41H2,(H,63,65)(H,64,69)/b66-52+