[3-chloranyl-8-oxidanylidene-7-[2-[[2-(trifluoromethyl)-3H-benzimidazol-5-yl]amino]ethanoylamino]-5-thia-1-azabicyclo[4.2.0]oct-2-en-2-yl] hydrogen carbonate

Systemtic Name: [3-chloranyl-8-oxidanylidene-7-[2-[[2-(trifluoromethyl)-3H-benzimidazol-5-yl]amino]ethanoylamino]-5-thia-1-azabicyclo[4.2.0]oct-2-en-2-yl] hydrogen carbonate Openeye Name: [3-chloro-8-oxo-7-[[2-[[2-(trifluoromethyl)-3H-benzimidazol-5-yl]amino]acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-en-2-yl] hydrogen carbonate CAS Name: carbonic acid [3-chloro-8-oxo-7-[[1-oxo-2-[[2-(trifluoromethyl)-3H-benzimidazol-5-yl]amino]ethyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-en-2-yl] ester IUPAC Name: [3-chloro-8-oxo-7-[[2-[[2-(trifluoromethyl)-3H-benzimidazol-5-yl]amino]acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-en-2-yl] hydrogen carbonate Traditional Name: carbonic acid [3-chloro-8-keto-7-[[2-[[2-(trifluoromethyl)-3H-benzimidazol-5-yl]amino]acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-en-2-yl] ester Formula: C17H13ClF3N5O5S MolecularWeight: 491.82883

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=C(N2C(S1)C(C2=O)NC(=O)CNC3=CC4=C(C=C3)N=C(N4)C(F)(F)F)OC(=O)O)Cl

Isomeric SMILES

C1C(=C(N2C(S1)C(C2=O)NC(=O)CNC3=CC4=C(C=C3)N=C(N4)C(F)(F)F)OC(=O)O)Cl

InChI

InChI=1S/C17H13ClF3N5O5S/c18-7-5-32-14-11(12(28)26(14)13(7)31-16(29)30)25-10(27)4-22-6-1-2-8-9(3-6)24-15(23-8)17(19,20)21/h1-3,11,14,22H,4-5H2,(H,23,24)(H,25,27)(H,29,30)