(6R,7R)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-8-oxidanylidene-7-[2-[4-(trifluoromethyl)phenyl]sulfanylethanoylamino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: (6R,7R)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-8-oxidanylidene-7-[2-[4-(trifluoromethyl)phenyl]sulfanylethanoylamino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: (6R,7R)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-8-oxo-7-[[2-[4-(trifluoromethyl)phenyl]sulfanylacetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: (6R,7R)-3-[[(5-methyl-1,3,4-thiadiazol-2-yl)thio]methyl]-8-oxo-7-[[1-oxo-2-[[4-(trifluoromethyl)phenyl]thio]ethyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: (6R,7R)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-8-oxo-7-[[2-[4-(trifluoromethyl)phenyl]sulfanylacetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: (6R,7R)-8-keto-3-[[(5-methyl-1,3,4-thiadiazol-2-yl)thio]methyl]-7-[[2-[[4-(trifluoromethyl)phenyl]thio]acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C20H17F3N4O4S4 MolecularWeight: 562.62859

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(S1)SCC2=C(N3C(C(C3=O)NC(=O)CSC4=CC=C(C=C4)C(F)(F)F)SC2)C(=O)O

Isomeric SMILES

CC1=NN=C(S1)SCC2=C(N3[C@@H]([C@@H](C3=O)NC(=O)CSC4=CC=C(C=C4)C(F)(F)F)SC2)C(=O)O

InChI

InChI=1S/C20H17F3N4O4S4/c1-9-25-26-19(35-9)34-7-10-6-33-17-14(16(29)27(17)15(10)18(30)31)24-13(28)8-32-12-4-2-11(3-5-12)20(21,22)23/h2-5,14,17H,6-8H2,1H3,(H,24,28)(H,30,31)/t14-,17-/m1/s1