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

Systemtic Name: 3-(acetyloxymethyl)-7-[2-[2-[[3-(2-cyanoethanoyl)-2-oxidanylidene-imidazolidin-1-yl]carbonylamino]phenyl]ethanoylamino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 3-(acetoxymethyl)-7-[[2-[2-[[3-(2-cyanoacetyl)-2-oxo-imidazolidine-1-carbonyl]amino]phenyl]acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 3-(acetyloxymethyl)-7-[[2-[2-[[[3-(2-cyano-1-oxoethyl)-2-oxo-1-imidazolidinyl]-oxomethyl]amino]phenyl]-1-oxoethyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 3-(acetyloxymethyl)-7-[[2-[2-[[3-(2-cyanoacetyl)-2-oxoimidazolidine-1-carbonyl]amino]phenyl]acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 3-(acetoxymethyl)-7-[[2-[2-[[3-(2-cyanoacetyl)-2-keto-imidazolidine-1-carbonyl]amino]phenyl]acetyl]amino]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C25H24N6O9S MolecularWeight: 584.55786

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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)CC#N)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)CC#N)SC1)C(=O)O

InChI

InChI=1S/C25H24N6O9S/c1-13(32)40-11-15-12-41-22-19(21(35)31(22)20(15)23(36)37)28-17(33)10-14-4-2-3-5-16(14)27-24(38)30-9-8-29(25(30)39)18(34)6-7-26/h2-5,19,22H,6,8-12H2,1H3,(H,27,38)(H,28,33)(H,36,37)