6-[6-(2-azanyl-2-oxidanylidene-ethyl)-7-(2-fluoranylethylsulfanyl)imidazo[5,1-b][1,3]thiazol-6-ium-2-yl]-6-(1-hydroxyethyl)-4-methyl-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate iodide

Systemtic Name: 6-[6-(2-azanyl-2-oxidanylidene-ethyl)-7-(2-fluoranylethylsulfanyl)imidazo[5,1-b][1,3]thiazol-6-ium-2-yl]-6-(1-hydroxyethyl)-4-methyl-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate iodide Openeye Name: 6-[6-(2-amino-2-oxo-ethyl)-7-(2-fluoroethylsulfanyl)imidazo[5,1-b]thiazol-6-ium-2-yl]-6-(1-hydroxyethyl)-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate iodide CAS Name: 6-[6-(2-amino-2-oxoethyl)-7-(2-fluoroethylthio)-2-imidazo[5,1-b]thiazol-6-iumyl]-6-(1-hydroxyethyl)-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate iodide IUPAC Name: 6-[6-(2-amino-2-oxoethyl)-7-(2-fluoroethylsulfanyl)imidazo[5,1-b][1,3]thiazol-6-ium-2-yl]-6-(1-hydroxyethyl)-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate iodide Traditional Name: 6-[6-(2-amino-2-keto-ethyl)-7-(2-fluoroethylthio)imidazo[5,1-b]thiazol-6-ium-2-yl]-6-(1-hydroxyethyl)-7-keto-4-methyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate iodide Formula: C19H21FIN4O5S2- MolecularWeight: 595.426713

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Descriptors Computed from Structure

Canonical SMILES:

CC1C=C(N2C1C(C2=O)(C3=CN4C=[N+](C(=C4S3)SCCF)CC(=O)N)C(C)O)C(=O)[O-].[I-]

Isomeric SMILES

CC1C=C(N2C1C(C2=O)(C3=CN4C=[N+](C(=C4S3)SCCF)CC(=O)N)C(C)O)C(=O)[O-].[I-]

InChI

InChI=1S/C19H21FN4O5S2.HI/c1-9-5-11(17(27)28)24-14(9)19(10(2)25,18(24)29)12-6-22-8-23(7-13(21)26)15(16(22)31-12)30-4-3-20;/h5-6,8-10,14,25H,3-4,7H2,1-2H3,(H2-,21,26,27,28);1H/p-1