3-(acetyloxymethyl)-7-[2-[2-[(3-methyl-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-methyl-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-methyl-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-methyl-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-methyl-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)-8-keto-7-[[2-[2-[(2-keto-3-methyl-imidazolidine-1-carbonyl)amino]phenyl]acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C23H25N5O8S MolecularWeight: 531.5383

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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)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)SC1)C(=O)O

InChI

InChI=1S/C23H25N5O8S/c1-12(29)36-10-14-11-37-20-17(19(31)28(20)18(14)21(32)33)25-16(30)9-13-5-3-4-6-15(13)24-22(34)27-8-7-26(2)23(27)35/h3-6,17,20H,7-11H2,1-2H3,(H,24,34)(H,25,30)(H,32,33)