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

Systemtic Name: 7-[[(2E)-2-(2-azanyl-5-chloranyl-1,3-thiazol-4-yl)-2-(2-fluoranylethoxyimino)ethanoyl]amino]-3-[3-[2-[bis(azanyl)methylideneamino]ethylsulfanyl]pyridin-4-yl]sulfanyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-[[(2E)-2-(2-amino-5-chloro-thiazol-4-yl)-2-(2-fluoroethoxyimino)acetyl]amino]-3-[[3-(2-guanidinoethylsulfanyl)-4-pyridyl]sulfanyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-[[(2E)-2-(2-amino-5-chloro-4-thiazolyl)-2-(2-fluoroethoxyimino)-1-oxoethyl]amino]-3-[[3-[2-(diaminomethylideneamino)ethylthio]-4-pyridinyl]thio]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-[[(2E)-2-(2-amino-5-chloro-1,3-thiazol-4-yl)-2-(2-fluoroethoxyimino)acetyl]amino]-3-[3-[2-(diaminomethylideneamino)ethylsulfanyl]pyridin-4-yl]sulfanyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 7-[[(2E)-2-(2-amino-5-chloro-thiazol-4-yl)-2-(2-fluoroethyloximino)acetyl]amino]-3-[[3-(2-guanidinoethylthio)-4-pyridyl]thio]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C22H23ClFN9O5S4 MolecularWeight: 676.186723

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=C(N2C(S1)C(C2=O)NC(=O)C(=NOCCF)C3=C(SC(=N3)N)Cl)C(=O)O)SC4=C(C=NC=C4)SCCN=C(N)N

Isomeric SMILES

C1C(=C(N2C(S1)C(C2=O)NC(=O)/C(=N/OCCF)/C3=C(SC(=N3)N)Cl)C(=O)O)SC4=C(C=NC=C4)SCCN=C(N)N

InChI

InChI=1S/C22H23ClFN9O5S4/c23-16-12(31-22(27)42-16)13(32-38-5-2-24)17(34)30-14-18(35)33-15(20(36)37)11(8-40-19(14)33)41-9-1-3-28-7-10(9)39-6-4-29-21(25)26/h1,3,7,14,19H,2,4-6,8H2,(H2,27,31)(H,30,34)(H,36,37)(H4,25,26,29)/b32-13+