3-(acetyloxymethyl)-7-methylsulfanyl-7-[[2-[(3-methylsulfonyl-2-oxidanylidene-imidazolidin-1-yl)carbonylamino]-2-phenyl-ethanoyl]amino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 3-(acetyloxymethyl)-7-methylsulfanyl-7-[[2-[(3-methylsulfonyl-2-oxidanylidene-imidazolidin-1-yl)carbonylamino]-2-phenyl-ethanoyl]amino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 3-(acetoxymethyl)-7-methylsulfanyl-7-[[2-[(3-methylsulfonyl-2-oxo-imidazolidine-1-carbonyl)amino]-2-phenyl-acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 3-(acetyloxymethyl)-7-[[2-[[(3-methylsulfonyl-2-oxo-1-imidazolidinyl)-oxomethyl]amino]-1-oxo-2-phenylethyl]amino]-7-(methylthio)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 3-(acetyloxymethyl)-7-methylsulfanyl-7-[[2-[(3-methylsulfonyl-2-oxoimidazolidine-1-carbonyl)amino]-2-phenylacetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 3-(acetoxymethyl)-8-keto-7-[[2-[(2-keto-3-mesyl-imidazolidine-1-carbonyl)amino]-2-phenyl-acetyl]amino]-7-(methylthio)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C24H27N5O10S3 MolecularWeight: 641.69368

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1=C(N2C(C(C2=O)(NC(=O)C(C3=CC=CC=C3)NC(=O)N4CCN(C4=O)S(=O)(=O)C)SC)SC1)C(=O)O

Isomeric SMILES

CC(=O)OCC1=C(N2C(C(C2=O)(NC(=O)C(C3=CC=CC=C3)NC(=O)N4CCN(C4=O)S(=O)(=O)C)SC)SC1)C(=O)O

InChI

InChI=1S/C24H27N5O10S3/c1-13(30)39-11-15-12-41-21-24(40-2,20(34)29(21)17(15)19(32)33)26-18(31)16(14-7-5-4-6-8-14)25-22(35)27-9-10-28(23(27)36)42(3,37)38/h4-8,16,21H,9-12H2,1-3H3,(H,25,35)(H,26,31)(H,32,33)