(6R,7R)-7-[[(2Z)-2-(2-azanyl-1,3-thiazol-4-yl)-2-methoxyimino-ethanoyl]amino]-3-[[3-[1-(2-hydroxyethyl)-1,2,4-triazol-3-yl]pyridin-1-ium-1-yl]methyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: (6R,7R)-7-[[(2Z)-2-(2-azanyl-1,3-thiazol-4-yl)-2-methoxyimino-ethanoyl]amino]-3-[[3-[1-(2-hydroxyethyl)-1,2,4-triazol-3-yl]pyridin-1-ium-1-yl]methyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: (6R,7R)-7-[[(2Z)-2-(2-aminothiazol-4-yl)-2-methoxyimino-acetyl]amino]-3-[[3-[1-(2-hydroxyethyl)-1,2,4-triazol-3-yl]pyridin-1-ium-1-yl]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: (6R,7R)-7-[[(2Z)-2-(2-amino-4-thiazolyl)-2-methoxyimino-1-oxoethyl]amino]-3-[[3-[1-(2-hydroxyethyl)-1,2,4-triazol-3-yl]-1-pyridin-1-iumyl]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate IUPAC Name: (6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-[[3-[1-(2-hydroxyethyl)-1,2,4-triazol-3-yl]pyridin-1-ium-1-yl]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: (6R,7R)-7-[[(2Z)-2-(2-aminothiazol-4-yl)-2-methyloximino-acetyl]amino]-3-[[3-[1-(2-hydroxyethyl)-1,2,4-triazol-3-yl]pyridin-1-ium-1-yl]methyl]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Formula: C23H23N9O6S2 MolecularWeight: 585.61542

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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=CC(=C4)C5=NN(C=N5)CCO)C(=O)[O-]

Isomeric SMILES

CO/N=C(/C1=CSC(=N1)N)\C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)C[N+]4=CC=CC(=C4)C5=NN(C=N5)CCO)C(=O)[O-]

InChI

InChI=1S/C23H23N9O6S2/c1-38-29-15(14-10-40-23(24)26-14)19(34)27-16-20(35)32-17(22(36)37)13(9-39-21(16)32)8-30-4-2-3-12(7-30)18-25-11-31(28-18)5-6-33/h2-4,7,10-11,16,21,33H,5-6,8-9H2,1H3,(H3-,24,26,27,34,36,37)/b29-15-/t16-,21-/m1/s1