3-(acetyloxymethyl)-7-[2-[2-[(3-methanoyl-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-methanoyl-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-formyl-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-formyl-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-formyl-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-formyl-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: C23H23N5O9S MolecularWeight: 545.52182

Click to see the large picture

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)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)SC1)C(=O)O

InChI

InChI=1S/C23H23N5O9S/c1-12(30)37-9-14-10-38-20-17(19(32)28(20)18(14)21(33)34)25-16(31)8-13-4-2-3-5-15(13)24-22(35)27-7-6-26(11-29)23(27)36/h2-5,11,17,20H,6-10H2,1H3,(H,24,35)(H,25,31)(H,33,34)