[[(2E)-2-[1-[3,4-bis(oxidanyl)phenyl]-2-(diphenylmethyl)oxy-2-oxidanylidene-ethoxy]iminoethanoyl]amino] 3-(iodanylmethyl)-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: [[(2E)-2-[1-[3,4-bis(oxidanyl)phenyl]-2-(diphenylmethyl)oxy-2-oxidanylidene-ethoxy]iminoethanoyl]amino] 3-(iodanylmethyl)-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: [[(2E)-2-[2-benzhydryloxy-1-(3,4-dihydroxyphenyl)-2-oxo-ethoxy]iminoacetyl]amino] 3-(iodomethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 3-(iodomethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid [[(2E)-2-[1-(3,4-dihydroxyphenyl)-2-(diphenylmethyl)oxy-2-oxoethoxy]imino-1-oxoethyl]amino] ester IUPAC Name: [[(2E)-2-[2-benzhydryloxy-1-(3,4-dihydroxyphenyl)-2-oxoethoxy]iminoacetyl]amino] 3-(iodomethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 3-(iodomethyl)-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid [[(2E)-2-[2-benzhydryloxy-1-(3,4-dihydroxyphenyl)-2-keto-ethyl]oximinoacetyl]amino] ester Formula: C31H26IN3O9S MolecularWeight: 743.52231

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Descriptors Computed from Structure

Canonical SMILES:

C1C2N(C1=O)C(=C(CS2)CI)C(=O)ONC(=O)C=NOC(C3=CC(=C(C=C3)O)O)C(=O)OC(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1C2N(C1=O)C(=C(CS2)CI)C(=O)ONC(=O)/C=N/OC(C3=CC(=C(C=C3)O)O)C(=O)OC(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C31H26IN3O9S/c32-15-21-17-45-26-14-25(39)35(26)27(21)30(40)44-34-24(38)16-33-43-29(20-11-12-22(36)23(37)13-20)31(41)42-28(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-13,16,26,28-29,36-37H,14-15,17H2,(H,34,38)/b33-16+