7-[[(2E)-2-(5-azanyl-1,2,4-thiadiazol-3-yl)-2-(2-fluoranylethoxyimino)ethanoyl]amino]-3-[[7-(formamidomethyl)imidazo[5,1-b][1,3]thiazol-4-ium-6-yl]methyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 7-[[(2E)-2-(5-azanyl-1,2,4-thiadiazol-3-yl)-2-(2-fluoranylethoxyimino)ethanoyl]amino]-3-[[7-(formamidomethyl)imidazo[5,1-b][1,3]thiazol-4-ium-6-yl]methyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-[[(2E)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(2-fluoroethoxyimino)acetyl]amino]-3-[[7-(formamidomethyl)imidazo[5,1-b]thiazol-4-ium-6-yl]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-[[(2E)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(2-fluoroethoxyimino)-1-oxoethyl]amino]-3-[[7-(formamidomethyl)-6-imidazo[5,1-b]thiazol-4-iumyl]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-[[(2E)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(2-fluoroethoxyimino)acetyl]amino]-3-[[7-(formamidomethyl)imidazo[5,1-b][1,3]thiazol-4-ium-6-yl]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 7-[[(2E)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(2-fluoroethyloximino)acetyl]amino]-3-[[7-(formamidomethyl)imidazo[5,1-b]thiazol-4-ium-6-yl]methyl]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C21H21FN9O6S3+ MolecularWeight: 610.641543

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=C(N2C(S1)C(C2=O)NC(=O)C(=NOCCF)C3=NSC(=N3)N)C(=O)O)CN4C=[N+]5C=CSC5=C4CNC=O

Isomeric SMILES

C1C(=C(N2C(S1)C(C2=O)NC(=O)/C(=N/OCCF)/C3=NSC(=N3)N)C(=O)O)CN4C=[N+]5C=CSC5=C4CNC=O

InChI

InChI=1S/C21H20FN9O6S3/c22-1-3-37-27-12(15-26-21(23)40-28-15)16(33)25-13-17(34)31-14(20(35)36)10(7-39-19(13)31)6-30-9-29-2-4-38-18(29)11(30)5-24-8-32/h2,4,8-9,13,19H,1,3,5-7H2,(H4-,23,24,25,26,28,32,33,35,36)/p+1/b27-12+