4-[[7-[[(2E)-2-(2-azanyl-1,3-thiazol-4-yl)-2-methoxyimino-ethanoyl]amino]-2-carboxy-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl]furo[3,2-b]pyridin-4-ium-2-carboxylic acid

Systemtic Name: 4-[[7-[[(2E)-2-(2-azanyl-1,3-thiazol-4-yl)-2-methoxyimino-ethanoyl]amino]-2-carboxy-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl]furo[3,2-b]pyridin-4-ium-2-carboxylic acid Openeye Name: 4-[[7-[[(2E)-2-(2-aminothiazol-4-yl)-2-methoxyimino-acetyl]amino]-2-carboxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl]furo[3,2-b]pyridin-4-ium-2-carboxylic acid CAS Name: 4-[[7-[[(2E)-2-(2-amino-4-thiazolyl)-2-methoxyimino-1-oxoethyl]amino]-2-carboxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl]-2-furo[3,2-b]pyridin-4-iumcarboxylic acid IUPAC Name: 4-[[7-[[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-2-carboxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl]furo[3,2-b]pyridin-4-ium-2-carboxylic acid Traditional Name: 4-[[7-[[(2E)-2-(2-aminothiazol-4-yl)-2-methyloximino-acetyl]amino]-2-carboxy-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl]furo[3,2-b]pyridin-4-ium-2-carboxylic acid Formula: C22H19N6O8S2+ MolecularWeight: 559.55166

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Descriptors Computed from Structure

Canonical SMILES:

CON=C(C1=CSC(=N1)N)C(=O)NC2C3N(C2=O)C(=C(CS3)C[N+]4=CC=CC5=C4C=C(O5)C(=O)O)C(=O)O

Isomeric SMILES

CO/N=C(\C1=CSC(=N1)N)/C(=O)NC2C3N(C2=O)C(=C(CS3)C[N+]4=CC=CC5=C4C=C(O5)C(=O)O)C(=O)O

InChI

InChI=1S/C22H18N6O8S2/c1-35-26-14(10-8-38-22(23)24-10)17(29)25-15-18(30)28-16(21(33)34)9(7-37-19(15)28)6-27-4-2-3-12-11(27)5-13(36-12)20(31)32/h2-5,8,15,19H,6-7H2,1H3,(H4-,23,24,25,29,31,32,33,34)/p+1/b26-14+