(6R,7R)-3-[[1-(2-hydroxyethyl)-1,2,3,4-tetrazol-5-yl]sulfanylmethyl]-7-methoxy-8-oxidanylidene-7-[2-(trifluoromethylsulfanyl)ethanoylamino]-5-oxa-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: (6R,7R)-3-[[1-(2-hydroxyethyl)-1,2,3,4-tetrazol-5-yl]sulfanylmethyl]-7-methoxy-8-oxidanylidene-7-[2-(trifluoromethylsulfanyl)ethanoylamino]-5-oxa-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: (6R,7R)-3-[[1-(2-hydroxyethyl)tetrazol-5-yl]sulfanylmethyl]-7-methoxy-8-oxo-7-[[2-(trifluoromethylsulfanyl)acetyl]amino]-5-oxa-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: (6R,7R)-3-[[[1-(2-hydroxyethyl)-5-tetrazolyl]thio]methyl]-7-methoxy-8-oxo-7-[[1-oxo-2-(trifluoromethylthio)ethyl]amino]-5-oxa-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: (6R,7R)-3-[[1-(2-hydroxyethyl)tetrazol-5-yl]sulfanylmethyl]-7-methoxy-8-oxo-7-[[2-(trifluoromethylsulfanyl)acetyl]amino]-5-oxa-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: (6R,7R)-3-[[[1-(2-hydroxyethyl)tetrazol-5-yl]thio]methyl]-8-keto-7-methoxy-7-[[2-(trifluoromethylthio)acetyl]amino]-5-oxa-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C15H17F3N6O7S2 MolecularWeight: 514.45669

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Descriptors Computed from Structure

Canonical SMILES:

COC1(C2N(C1=O)C(=C(CO2)CSC3=NN=NN3CCO)C(=O)O)NC(=O)CSC(F)(F)F

Isomeric SMILES

CO[C@@]1([C@@H]2N(C1=O)C(=C(CO2)CSC3=NN=NN3CCO)C(=O)O)NC(=O)CSC(F)(F)F

InChI

InChI=1S/C15H17F3N6O7S2/c1-30-14(19-8(26)6-33-15(16,17)18)11(29)24-9(10(27)28)7(4-31-12(14)24)5-32-13-20-21-22-23(13)2-3-25/h12,25H,2-6H2,1H3,(H,19,26)(H,27,28)/t12-,14+/m1/s1