3-(acetyloxymethyl)-8-oxidanylidene-7-[2-[2-[[2-oxidanylidene-3-[2,2,2-tris(fluoranyl)ethanoyl]imidazolidin-1-yl]carbonylamino]phenyl]ethanoylamino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 3-(acetyloxymethyl)-8-oxidanylidene-7-[2-[2-[[2-oxidanylidene-3-[2,2,2-tris(fluoranyl)ethanoyl]imidazolidin-1-yl]carbonylamino]phenyl]ethanoylamino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 3-(acetoxymethyl)-8-oxo-7-[[2-[2-[[2-oxo-3-(2,2,2-trifluoroacetyl)imidazolidine-1-carbonyl]amino]phenyl]acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 3-(acetyloxymethyl)-8-oxo-7-[[1-oxo-2-[2-[[oxo-[2-oxo-3-(2,2,2-trifluoro-1-oxoethyl)-1-imidazolidinyl]methyl]amino]phenyl]ethyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 3-(acetyloxymethyl)-8-oxo-7-[[2-[2-[[2-oxo-3-(2,2,2-trifluoroacetyl)imidazolidine-1-carbonyl]amino]phenyl]acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 3-(acetoxymethyl)-8-keto-7-[[2-[2-[[2-keto-3-(2,2,2-trifluoroacetyl)imidazolidine-1-carbonyl]amino]phenyl]acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C24H22F3N5O9S MolecularWeight: 613.51979

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1=C(N2C(C(C2=O)NC(=O)CC3=CC=CC=C3NC(=O)N4CCN(C4=O)C(=O)C(F)(F)F)SC1)C(=O)O

Isomeric SMILES

CC(=O)OCC1=C(N2C(C(C2=O)NC(=O)CC3=CC=CC=C3NC(=O)N4CCN(C4=O)C(=O)C(F)(F)F)SC1)C(=O)O

InChI

InChI=1S/C24H22F3N5O9S/c1-11(33)41-9-13-10-42-19-16(18(35)32(19)17(13)20(36)37)29-15(34)8-12-4-2-3-5-14(12)28-22(39)31-7-6-30(23(31)40)21(38)24(25,26)27/h2-5,16,19H,6-10H2,1H3,(H,28,39)(H,29,34)(H,36,37)