[[(2E)-2-[2-(diphenylmethyl)oxy-2-oxidanylidene-ethoxy]imino-2-[2-[(triphenylmethyl)amino]-1,3-thiazol-4-yl]ethanoyl]amino] 3-(iodanylmethyl)-5,8-bis(oxidanylidene)-5$l^{4}-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: [[(2E)-2-[2-(diphenylmethyl)oxy-2-oxidanylidene-ethoxy]imino-2-[2-[(triphenylmethyl)amino]-1,3-thiazol-4-yl]ethanoyl]amino] 3-(iodanylmethyl)-5,8-bis(oxidanylidene)-5$l^{4}-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: [[(2E)-2-(2-benzhydryloxy-2-oxo-ethoxy)imino-2-[2-(tritylamino)thiazol-4-yl]acetyl]amino] 3-(iodomethyl)-5,8-dioxo-5$l^{4}-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 3-(iodomethyl)-5,8-dioxo-5$l^{4}-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid [[(2E)-2-[2-(diphenylmethyl)oxy-2-oxoethoxy]imino-1-oxo-2-[2-[(triphenylmethyl)amino]-4-thiazolyl]ethyl]amino] ester IUPAC Name: [[(2E)-2-(2-benzhydryloxy-2-oxoethoxy)imino-2-[2-(tritylamino)-1,3-thiazol-4-yl]acetyl]amino] 3-(iodomethyl)-5,8-dioxo-5$l^{4}-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 3-(iodomethyl)-5,8-diketo-5$l^{4}-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid [[(2E)-2-(2-benzhydryloxy-2-keto-ethyl)oximino-2-[2-(tritylamino)thiazol-4-yl]acetyl]amino] ester Formula: C47H38IN5O8S2 MolecularWeight: 991.86779

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Descriptors Computed from Structure

Canonical SMILES:

C1C2N(C1=O)C(=C(CS2=O)CI)C(=O)ONC(=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

Isomeric SMILES

C1C2N(C1=O)C(=C(CS2=O)CI)C(=O)ONC(=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

InChI

InChI=1S/C47H38IN5O8S2/c48-27-33-30-63(58)39-26-38(54)53(39)42(33)45(57)61-52-44(56)41(51-59-28-40(55)60-43(31-16-6-1-7-17-31)32-18-8-2-9-19-32)37-29-62-46(49-37)50-47(34-20-10-3-11-21-34,35-22-12-4-13-23-35)36-24-14-5-15-25-36/h1-25,29,39,43H,26-28,30H2,(H,49,50)(H,52,56)/b51-41+