7-[[(2E)-2-methoxyimino-2-[2-[2,2,2-tris(fluoranyl)ethanoylamino]-1,3-thiazol-4-yl]ethanoyl]amino]-8-oxidanylidene-3-(1,3,4-thiadiazol-2-ylsulfanylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 7-[[(2E)-2-methoxyimino-2-[2-[2,2,2-tris(fluoranyl)ethanoylamino]-1,3-thiazol-4-yl]ethanoyl]amino]-8-oxidanylidene-3-(1,3,4-thiadiazol-2-ylsulfanylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-[[(2E)-2-methoxyimino-2-[2-[(2,2,2-trifluoroacetyl)amino]thiazol-4-yl]acetyl]amino]-8-oxo-3-(1,3,4-thiadiazol-2-ylsulfanylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-[[(2E)-2-methoxyimino-1-oxo-2-[2-[(2,2,2-trifluoro-1-oxoethyl)amino]-4-thiazolyl]ethyl]amino]-8-oxo-3-[(1,3,4-thiadiazol-2-ylthio)methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-[[(2E)-2-methoxyimino-2-[2-[(2,2,2-trifluoroacetyl)amino]-1,3-thiazol-4-yl]acetyl]amino]-8-oxo-3-(1,3,4-thiadiazol-2-ylsulfanylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 8-keto-7-[[(2E)-2-methyloximino-2-[2-[(2,2,2-trifluoroacetyl)amino]thiazol-4-yl]acetyl]amino]-3-[(1,3,4-thiadiazol-2-ylthio)methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C18H14F3N7O6S4 MolecularWeight: 609.60227

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Descriptors Computed from Structure

Canonical SMILES:

CON=C(C1=CSC(=N1)NC(=O)C(F)(F)F)C(=O)NC2C3N(C2=O)C(=C(CS3)CSC4=NN=CS4)C(=O)O

Isomeric SMILES

CO/N=C(\C1=CSC(=N1)NC(=O)C(F)(F)F)/C(=O)NC2C3N(C2=O)C(=C(CS3)CSC4=NN=CS4)C(=O)O

InChI

InChI=1S/C18H14F3N7O6S4/c1-34-27-8(7-4-36-16(23-7)25-15(33)18(19,20)21)11(29)24-9-12(30)28-10(14(31)32)6(2-35-13(9)28)3-37-17-26-22-5-38-17/h4-5,9,13H,2-3H2,1H3,(H,24,29)(H,31,32)(H,23,25,33)/b27-8+