7-[[(2E)-2-(2-azanyl-5-chloranyl-1,3-thiazol-4-yl)-2-(2-fluoranylethoxyimino)ethanoyl]amino]-3-[3-[2-[bis(azanyl)methylideneamino]propylsulfanyl]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]propylsulfanyl]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-guanidinopropylsulfanyl)-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)propylthio]-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)propylsulfanyl]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-guanidinopropylthio)-4-pyridyl]thio]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C23H25ClFN9O5S4 MolecularWeight: 690.213303

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Descriptors Computed from Structure

Canonical SMILES:

CC(CSC1=C(C=CN=C1)SC2=C(N3C(C(C3=O)NC(=O)C(=NOCCF)C4=C(SC(=N4)N)Cl)SC2)C(=O)O)N=C(N)N

Isomeric SMILES

CC(CSC1=C(C=CN=C1)SC2=C(N3C(C(C3=O)NC(=O)/C(=N/OCCF)/C4=C(SC(=N4)N)Cl)SC2)C(=O)O)N=C(N)N

InChI

InChI=1S/C23H25ClFN9O5S4/c1-9(30-22(26)27)7-40-11-6-29-4-2-10(11)42-12-8-41-20-15(19(36)34(20)16(12)21(37)38)31-18(35)14(33-39-5-3-25)13-17(24)43-23(28)32-13/h2,4,6,9,15,20H,3,5,7-8H2,1H3,(H2,28,32)(H,31,35)(H,37,38)(H4,26,27,30)/b33-14+