7-[[(2E)-2-(2-azanyl-1,3-thiazol-4-yl)-2-(2-fluoranylethoxyimino)ethanoyl]amino]-3-[3-[2-[bis(azanyl)methylideneamino]ethylsulfanylmethyl]pyridin-4-yl]sulfanyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: 7-[[(2E)-2-(2-azanyl-1,3-thiazol-4-yl)-2-(2-fluoranylethoxyimino)ethanoyl]amino]-3-[3-[2-[bis(azanyl)methylideneamino]ethylsulfanylmethyl]pyridin-4-yl]sulfanyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: 7-[[(2E)-2-(2-aminothiazol-4-yl)-2-(2-fluoroethoxyimino)acetyl]amino]-3-[[3-(2-guanidinoethylsulfanylmethyl)-4-pyridyl]sulfanyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 7-[[(2E)-2-(2-amino-4-thiazolyl)-2-(2-fluoroethoxyimino)-1-oxoethyl]amino]-3-[[3-[[2-(diaminomethylideneamino)ethylthio]methyl]-4-pyridinyl]thio]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate IUPAC Name: 7-[[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-(2-fluoroethoxyimino)acetyl]amino]-3-[3-[2-(diaminomethylideneamino)ethylsulfanylmethyl]pyridin-4-yl]sulfanyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 7-[[(2E)-2-(2-aminothiazol-4-yl)-2-(2-fluoroethyloximino)acetyl]amino]-3-[[3-[(2-guanidinoethylthio)methyl]-4-pyridyl]thio]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Formula: C23H25FN9O5S4- MolecularWeight: 654.760303

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=C(N2C(S1)C(C2=O)NC(=O)C(=NOCCF)C3=CSC(=N3)N)C(=O)[O-])SC4=C(C=NC=C4)CSCCN=C(N)N

Isomeric SMILES

C1C(=C(N2C(S1)C(C2=O)NC(=O)/C(=N/OCCF)/C3=CSC(=N3)N)C(=O)[O-])SC4=C(C=NC=C4)CSCCN=C(N)N

InChI

InChI=1S/C23H26FN9O5S4/c24-2-5-38-32-15(12-9-41-23(27)30-12)18(34)31-16-19(35)33-17(21(36)37)14(10-40-20(16)33)42-13-1-3-28-7-11(13)8-39-6-4-29-22(25)26/h1,3,7,9,16,20H,2,4-6,8,10H2,(H2,27,30)(H,31,34)(H,36,37)(H4,25,26,29)/p-1/b32-15+