3-(acetyloxymethyl)-8-oxidanylidene-7-[2-[2-[(2-oxidanylideneimidazolidin-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-oxidanylideneimidazolidin-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-oxoimidazolidine-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-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-oxoimidazolidine-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-ketoimidazolidine-1-carbonyl)amino]phenyl]acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C22H23N5O8S MolecularWeight: 517.51172

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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)N4CCNC4=O)SC1)C(=O)O

Isomeric SMILES

CC(=O)OCC1=C(N2C(C(C2=O)NC(=O)CC3=CC=CC=C3NC(=O)N4CCNC4=O)SC1)C(=O)O

InChI

InChI=1S/C22H23N5O8S/c1-11(28)35-9-13-10-36-19-16(18(30)27(19)17(13)20(31)32)25-15(29)8-12-4-2-3-5-14(12)24-22(34)26-7-6-23-21(26)33/h2-5,16,19H,6-10H2,1H3,(H,23,33)(H,24,34)(H,25,29)(H,31,32)