7-[[(2E)-2-(2-azanyl-5-chloranyl-1,3-thiazol-4-yl)-2-(2-fluoranylethoxyimino)ethanoyl]amino]-3-[3-(2-azanylethylsulfanyl)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-5-chloranyl-1,3-thiazol-4-yl)-2-(2-fluoranylethoxyimino)ethanoyl]amino]-3-[3-(2-azanylethylsulfanyl)pyridin-4-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-[[3-(2-aminoethylsulfanyl)-4-pyridyl]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-[[3-(2-aminoethylthio)-4-pyridinyl]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-[3-(2-aminoethylsulfanyl)pyridin-4-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-[[3-(2-aminoethylthio)-4-pyridyl]thio]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Formula: C21H20ClFN7O5S4- MolecularWeight: 633.138803

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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

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

InChI

InChI=1S/C21H21ClFN7O5S4/c22-16-12(28-21(25)39-16)13(29-35-5-2-23)17(31)27-14-18(32)30-15(20(33)34)11(8-37-19(14)30)38-9-1-4-26-7-10(9)36-6-3-24/h1,4,7,14,19H,2-3,5-6,8,24H2,(H2,25,28)(H,27,31)(H,33,34)/p-1/b29-13+