(6R,7R)-3-(acetyloxymethyl)-7-[[(2R)-2-(furan-2-ylcarbonylcarbamoylamino)-2-phenyl-ethanoyl]amino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: (6R,7R)-3-(acetyloxymethyl)-7-[[(2R)-2-(furan-2-ylcarbonylcarbamoylamino)-2-phenyl-ethanoyl]amino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: (6R,7R)-3-(acetoxymethyl)-7-[[(2R)-2-(furan-2-carbonylcarbamoylamino)-2-phenyl-acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: (6R,7R)-3-(acetyloxymethyl)-7-[[(2R)-2-[[[[2-furanyl(oxo)methyl]amino]-oxomethyl]amino]-1-oxo-2-phenylethyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: (6R,7R)-3-(acetyloxymethyl)-7-[[(2R)-2-(furan-2-carbonylcarbamoylamino)-2-phenylacetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: (6R,7R)-3-(acetoxymethyl)-7-[[(2R)-2-(2-furoylcarbamoylamino)-2-phenyl-acetyl]amino]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C24H22N4O9S MolecularWeight: 542.51788

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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)NC(=O)C4=CC=CO4)SC1)C(=O)O

Isomeric SMILES

CC(=O)OCC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)[C@@H](C3=CC=CC=C3)NC(=O)NC(=O)C4=CC=CO4)SC1)C(=O)O

InChI

InChI=1S/C24H22N4O9S/c1-12(29)37-10-14-11-38-22-17(21(32)28(22)18(14)23(33)34)25-20(31)16(13-6-3-2-4-7-13)26-24(35)27-19(30)15-8-5-9-36-15/h2-9,16-17,22H,10-11H2,1H3,(H,25,31)(H,33,34)(H2,26,27,30,35)/t16-,17-,22-/m1/s1