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

Systemtic Name: (6R,7R)-3-[[3-[5-azanyl-1-(2-hydroxyethyl)-1,2,4-triazol-3-yl]pyridin-1-ium-1-yl]methyl]-7-[[(2Z)-2-(2-azanyl-1,3-thiazol-4-yl)-2-methoxyimino-ethanoyl]amino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: (6R,7R)-3-[[3-[5-amino-1-(2-hydroxyethyl)-1,2,4-triazol-3-yl]pyridin-1-ium-1-yl]methyl]-7-[[(2Z)-2-(2-aminothiazol-4-yl)-2-methoxyimino-acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: (6R,7R)-3-[[3-[5-amino-1-(2-hydroxyethyl)-1,2,4-triazol-3-yl]-1-pyridin-1-iumyl]methyl]-7-[[(2Z)-2-(2-amino-4-thiazolyl)-2-methoxyimino-1-oxoethyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate IUPAC Name: (6R,7R)-3-[[3-[5-amino-1-(2-hydroxyethyl)-1,2,4-triazol-3-yl]pyridin-1-ium-1-yl]methyl]-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: (6R,7R)-3-[[3-[5-amino-1-(2-hydroxyethyl)-1,2,4-triazol-3-yl]pyridin-1-ium-1-yl]methyl]-7-[[(2Z)-2-(2-aminothiazol-4-yl)-2-methyloximino-acetyl]amino]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Formula: C23H24N10O6S2 MolecularWeight: 600.63006

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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)N)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)N)CCO)C(=O)[O-]

InChI

InChI=1S/C23H24N10O6S2/c1-39-30-14(13-10-41-23(25)26-13)18(35)27-15-19(36)33-16(21(37)38)12(9-40-20(15)33)8-31-4-2-3-11(7-31)17-28-22(24)32(29-17)5-6-34/h2-4,7,10,15,20,34H,5-6,8-9H2,1H3,(H5-,24,25,26,27,28,29,35,37,38)/b30-14-/t15-,20-/m1/s1