[[(2E)-2-phenylmethoxyimino-2-[2-[(triphenylmethyl)amino]-1,3-thiazol-4-yl]ethanoyl]amino] 3-(iodanylmethyl)-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: [[(2E)-2-phenylmethoxyimino-2-[2-[(triphenylmethyl)amino]-1,3-thiazol-4-yl]ethanoyl]amino] 3-(iodanylmethyl)-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: [[(2E)-2-benzyloxyimino-2-[2-(tritylamino)thiazol-4-yl]acetyl]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)-1-oxo-2-phenylmethoxyimino-2-[2-[(triphenylmethyl)amino]-4-thiazolyl]ethyl]amino] ester IUPAC Name: [[(2E)-2-phenylmethoxyimino-2-[2-(tritylamino)-1,3-thiazol-4-yl]acetyl]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-benzyloximino-2-[2-(tritylamino)thiazol-4-yl]acetyl]amino] ester Formula: C39H32IN5O5S2 MolecularWeight: 841.73635

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Descriptors Computed from Structure

Canonical SMILES:

C1C2N(C1=O)C(=C(CS2)CI)C(=O)ONC(=O)C(=NOCC3=CC=CC=C3)C4=CSC(=N4)NC(C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7

Isomeric SMILES

C1C2N(C1=O)C(=C(CS2)CI)C(=O)ONC(=O)/C(=N/OCC3=CC=CC=C3)/C4=CSC(=N4)NC(C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7

InChI

InChI=1S/C39H32IN5O5S2/c40-22-27-24-51-33-21-32(46)45(33)35(27)37(48)50-44-36(47)34(43-49-23-26-13-5-1-6-14-26)31-25-52-38(41-31)42-39(28-15-7-2-8-16-28,29-17-9-3-10-18-29)30-19-11-4-12-20-30/h1-20,25,33H,21-24H2,(H,41,42)(H,44,47)/b43-34+