3-(acetyloxymethyl)-7-[2-[2-[(3-ethyl-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-ethyl-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-ethyl-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-ethyl-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-ethyl-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-ethyl-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: C24H27N5O8S MolecularWeight: 545.56488

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(C1=O)C(=O)NC2=CC=CC=C2CC(=O)NC3C4N(C3=O)C(=C(CS4)COC(=O)C)C(=O)O

Isomeric SMILES

CCN1CCN(C1=O)C(=O)NC2=CC=CC=C2CC(=O)NC3C4N(C3=O)C(=C(CS4)COC(=O)C)C(=O)O

InChI

InChI=1S/C24H27N5O8S/c1-3-27-8-9-28(24(27)36)23(35)25-16-7-5-4-6-14(16)10-17(31)26-18-20(32)29-19(22(33)34)15(11-37-13(2)30)12-38-21(18)29/h4-7,18,21H,3,8-12H2,1-2H3,(H,25,35)(H,26,31)(H,33,34)