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

Systemtic Name: 3-[3-(2-azanylethylsulfanylmethyl)pyridin-4-yl]sulfanyl-7-[[(2E)-2-(2-azanyl-1,3-thiazol-4-yl)-2-(2-fluoranylethoxyimino)ethanoyl]amino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 3-[[3-(2-aminoethylsulfanylmethyl)-4-pyridyl]sulfanyl]-7-[[(2E)-2-(2-aminothiazol-4-yl)-2-(2-fluoroethoxyimino)acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 3-[[3-[(2-aminoethylthio)methyl]-4-pyridinyl]thio]-7-[[(2E)-2-(2-amino-4-thiazolyl)-2-(2-fluoroethoxyimino)-1-oxoethyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 3-[3-(2-aminoethylsulfanylmethyl)pyridin-4-yl]sulfanyl-7-[[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-(2-fluoroethoxyimino)acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 3-[[3-[(2-aminoethylthio)methyl]-4-pyridyl]thio]-7-[[(2E)-2-(2-aminothiazol-4-yl)-2-(2-fluoroethyloximino)acetyl]amino]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C22H24FN7O5S4 MolecularWeight: 613.728263

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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

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

InChI

InChI=1S/C22H24FN7O5S4/c23-2-5-35-29-15(12-9-38-22(25)27-12)18(31)28-16-19(32)30-17(21(33)34)14(10-37-20(16)30)39-13-1-4-26-7-11(13)8-36-6-3-24/h1,4,7,9,16,20H,2-3,5-6,8,10,24H2,(H2,25,27)(H,28,31)(H,33,34)/b29-15+