[[(2E)-2-(2-formamido-1,3-thiazol-4-yl)-2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yloxyimino]ethanoyl]amino] 3-(chloromethyl)-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: [[(2E)-2-(2-formamido-1,3-thiazol-4-yl)-2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yloxyimino]ethanoyl]amino] 3-(chloromethyl)-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: [[(2E)-2-[2-(tert-butoxycarbonylamino)-1-methyl-ethoxy]imino-2-(2-formamidothiazol-4-yl)acetyl]amino] 3-(chloromethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 3-(chloromethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid [[(2E)-2-(2-formamido-4-thiazolyl)-2-[1-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propan-2-yloxyimino]-1-oxoethyl]amino] ester IUPAC Name: [[(2E)-2-(2-formamido-1,3-thiazol-4-yl)-2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yloxyimino]acetyl]amino] 3-(chloromethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 3-(chloromethyl)-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid [[(2E)-2-[2-(tert-butoxycarbonylamino)-1-methyl-ethyl]oximino-2-(2-formamidothiazol-4-yl)acetyl]amino] ester Formula: C22H27ClN6O8S2 MolecularWeight: 603.06818

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNC(=O)OC(C)(C)C)ON=C(C1=CSC(=N1)NC=O)C(=O)NOC(=O)C2=C(CSC3N2C(=O)C3)CCl

Isomeric SMILES

CC(CNC(=O)OC(C)(C)C)O/N=C(\C1=CSC(=N1)NC=O)/C(=O)NOC(=O)C2=C(CSC3N2C(=O)C3)CCl

InChI

InChI=1S/C22H27ClN6O8S2/c1-11(7-24-21(34)35-22(2,3)4)36-27-16(13-9-39-20(26-13)25-10-30)18(32)28-37-19(33)17-12(6-23)8-38-15-5-14(31)29(15)17/h9-11,15H,5-8H2,1-4H3,(H,24,34)(H,28,32)(H,25,26,30)/b27-16+