4-(2-azanyl-1,3-thiazol-4-yl)-4-[[(2E)-2-[1,5-bis(oxidanyl)-4-oxidanylidene-pyridin-2-yl]-2-methoxyimino-ethanoyl]amino]-3-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanylmethyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 4-(2-azanyl-1,3-thiazol-4-yl)-4-[[(2E)-2-[1,5-bis(oxidanyl)-4-oxidanylidene-pyridin-2-yl]-2-methoxyimino-ethanoyl]amino]-3-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanylmethyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 4-(2-aminothiazol-4-yl)-4-[[(2E)-2-(1,5-dihydroxy-4-oxo-2-pyridyl)-2-methoxyimino-acetyl]amino]-3-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 4-(2-amino-4-thiazolyl)-4-[[(2E)-2-(1,5-dihydroxy-4-oxo-2-pyridinyl)-2-methoxyimino-1-oxoethyl]amino]-3-[[(3-methyl-1,2,4-thiadiazol-5-yl)thio]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 4-(2-amino-1,3-thiazol-4-yl)-4-[[(2E)-2-(1,5-dihydroxy-4-oxopyridin-2-yl)-2-methoxyiminoacetyl]amino]-3-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 4-(2-aminothiazol-4-yl)-4-[[(2E)-2-(1,5-dihydroxy-4-keto-2-pyridyl)-2-methyloximino-acetyl]amino]-8-keto-3-[[(3-methyl-1,2,4-thiadiazol-5-yl)thio]methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C22H20N8O8S4 MolecularWeight: 652.703

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NSC(=N1)SCC2=C(N3C(CC3=O)SC2(C4=CSC(=N4)N)NC(=O)C(=NOC)C5=CC(=O)C(=CN5O)O)C(=O)O

Isomeric SMILES

CC1=NSC(=N1)SCC2=C(N3C(CC3=O)SC2(C4=CSC(=N4)N)NC(=O)/C(=N/OC)/C5=CC(=O)C(=CN5O)O)C(=O)O

InChI

InChI=1S/C22H20N8O8S4/c1-8-24-21(42-28-8)40-6-9-17(19(35)36)30-14(33)4-15(30)41-22(9,13-7-39-20(23)25-13)26-18(34)16(27-38-2)10-3-11(31)12(32)5-29(10)37/h3,5,7,15,32,37H,4,6H2,1-2H3,(H2,23,25)(H,26,34)(H,35,36)/b27-16+