7-[[(2E)-2-(5-azanyl-1,2,4-thiadiazol-3-yl)-2-(fluoranylmethoxyimino)ethanoyl]amino]-3-[(E)-3-[1-(2-hydroxyethyl)-2-(hydroxymethyl)-4-oxidanyl-pyrrolidin-1-ium-1-yl]prop-1-enyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 7-[[(2E)-2-(5-azanyl-1,2,4-thiadiazol-3-yl)-2-(fluoranylmethoxyimino)ethanoyl]amino]-3-[(E)-3-[1-(2-hydroxyethyl)-2-(hydroxymethyl)-4-oxidanyl-pyrrolidin-1-ium-1-yl]prop-1-enyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-[[(2E)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(fluoromethoxyimino)acetyl]amino]-3-[(E)-3-[4-hydroxy-1-(2-hydroxyethyl)-2-(hydroxymethyl)pyrrolidin-1-ium-1-yl]prop-1-enyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-[[(2E)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(fluoromethoxyimino)-1-oxoethyl]amino]-3-[(E)-3-[4-hydroxy-1-(2-hydroxyethyl)-2-(hydroxymethyl)-1-pyrrolidin-1-iumyl]prop-1-enyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-[[(2E)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(fluoromethoxyimino)acetyl]amino]-3-[(E)-3-[4-hydroxy-1-(2-hydroxyethyl)-2-(hydroxymethyl)pyrrolidin-1-ium-1-yl]prop-1-enyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 7-[[(2E)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(fluoromethyloximino)acetyl]amino]-3-[(E)-3-[4-hydroxy-1-(2-hydroxyethyl)-2-methylol-pyrrolidin-1-ium-1-yl]prop-1-enyl]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C22H29FN7O8S2+ MolecularWeight: 602.636163

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C[N+](C1CO)(CCO)CC=CC2=C(N3C(C(C3=O)NC(=O)C(=NOCF)C4=NSC(=N4)N)SC2)C(=O)O)O

Isomeric SMILES

C1C(C[N+](C1CO)(CCO)C/C=C/C2=C(N3C(C(C3=O)NC(=O)/C(=N/OCF)/C4=NSC(=N4)N)SC2)C(=O)O)O

InChI

InChI=1S/C22H28FN7O8S2/c23-10-38-27-14(17-26-22(24)40-28-17)18(34)25-15-19(35)29-16(21(36)37)11(9-39-20(15)29)2-1-3-30(4-5-31)7-13(33)6-12(30)8-32/h1-2,12-13,15,20,31-33H,3-10H2,(H3-,24,25,26,28,34,36,37)/p+1/b2-1+,27-14+