3-(aminocarbonyloxymethyl)-7-[2-[4-[(2-azanyl-3-oxidanyl-3-oxidanylidene-propoxy)carbonyl-sulfamoyl-amino]phenyl]ethanoylamino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 3-(aminocarbonyloxymethyl)-7-[2-[4-[(2-azanyl-3-oxidanyl-3-oxidanylidene-propoxy)carbonyl-sulfamoyl-amino]phenyl]ethanoylamino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-[[2-[4-[(2-amino-3-hydroxy-3-oxo-propoxy)carbonyl-sulfamoyl-amino]phenyl]acetyl]amino]-3-(carbamoyloxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-[[2-[4-[[(2-amino-3-hydroxy-3-oxopropoxy)-oxomethyl]-sulfamoylamino]phenyl]-1-oxoethyl]amino]-3-(carbamoyloxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-[[2-[4-[(2-amino-3-hydroxy-3-oxopropoxy)carbonyl-sulfamoylamino]phenyl]acetyl]amino]-3-(carbamoyloxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 7-[[2-[4-[(2-amino-3-hydroxy-3-keto-propoxy)carbonyl-sulfamoyl-amino]phenyl]acetyl]amino]-3-(carbamoyloxymethyl)-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C21H24N6O12S2 MolecularWeight: 616.57826

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=C(N2C(S1)C(C2=O)NC(=O)CC3=CC=C(C=C3)N(C(=O)OCC(C(=O)O)N)S(=O)(=O)N)C(=O)O)COC(=O)N

Isomeric SMILES

C1C(=C(N2C(S1)C(C2=O)NC(=O)CC3=CC=C(C=C3)N(C(=O)OCC(C(=O)O)N)S(=O)(=O)N)C(=O)O)COC(=O)N

InChI

InChI=1S/C21H24N6O12S2/c22-12(18(30)31)7-39-21(35)27(41(24,36)37)11-3-1-9(2-4-11)5-13(28)25-14-16(29)26-15(19(32)33)10(6-38-20(23)34)8-40-17(14)26/h1-4,12,14,17H,5-8,22H2,(H2,23,34)(H,25,28)(H,30,31)(H,32,33)(H2,24,36,37)