7-[[(2E)-2-(2-azanyl-5-chloranyl-1,3-thiazol-4-yl)-2-(2-fluoranylethoxyimino)ethanoyl]amino]-3-[[4-[ethylamino-ethylsulfanyl-(methylamino)methyl]-1,2,3-thiadiazol-5-yl]sulfanyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: 7-[[(2E)-2-(2-azanyl-5-chloranyl-1,3-thiazol-4-yl)-2-(2-fluoranylethoxyimino)ethanoyl]amino]-3-[[4-[ethylamino-ethylsulfanyl-(methylamino)methyl]-1,2,3-thiadiazol-5-yl]sulfanyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: 7-[[(2E)-2-(2-amino-5-chloro-thiazol-4-yl)-2-(2-fluoroethoxyimino)acetyl]amino]-3-[4-[ethylamino-ethylsulfanyl-(methylamino)methyl]thiadiazol-5-yl]sulfanyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 7-[[(2E)-2-(2-amino-5-chloro-4-thiazolyl)-2-(2-fluoroethoxyimino)-1-oxoethyl]amino]-3-[[4-[ethylamino-(ethylthio)-(methylamino)methyl]-5-thiadiazolyl]thio]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate IUPAC Name: 7-[[(2E)-2-(2-amino-5-chloro-1,3-thiazol-4-yl)-2-(2-fluoroethoxyimino)acetyl]amino]-3-[4-[ethylamino-ethylsulfanyl-(methylamino)methyl]thiadiazol-5-yl]sulfanyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 7-[[(2E)-2-(2-amino-5-chloro-thiazol-4-yl)-2-(2-fluoroethyloximino)acetyl]amino]-3-[[4-[ethylamino-(ethylthio)-(methylamino)methyl]thiadiazol-5-yl]thio]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Formula: C22H26ClFN9O5S5- MolecularWeight: 711.275543

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(C1=C(SN=N1)SC2=C(N3C(C(C3=O)NC(=O)C(=NOCCF)C4=C(SC(=N4)N)Cl)SC2)C(=O)[O-])(NC)SCC

Isomeric SMILES

CCNC(C1=C(SN=N1)SC2=C(N3C(C(C3=O)NC(=O)/C(=N/OCCF)/C4=C(SC(=N4)N)Cl)SC2)C(=O)[O-])(NC)SCC

InChI

InChI=1S/C22H27ClFN9O5S5/c1-4-27-22(26-3,40-5-2)14-20(43-32-30-14)41-9-8-39-18-12(17(35)33(18)13(9)19(36)37)28-16(34)11(31-38-7-6-24)10-15(23)42-21(25)29-10/h12,18,26-27H,4-8H2,1-3H3,(H2,25,29)(H,28,34)(H,36,37)/p-1/b31-11+