disodium 3-[[5-(2-hydroxyethylcarbamoyl)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-7-[[2-(4-hydroxyphenyl)-2-[(3-oxidanidyl-5-oxidanylidene-2H-1,2,4-triazin-6-yl)carbonylamino]ethanoyl]amino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: disodium 3-[[5-(2-hydroxyethylcarbamoyl)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-7-[[2-(4-hydroxyphenyl)-2-[(3-oxidanidyl-5-oxidanylidene-2H-1,2,4-triazin-6-yl)carbonylamino]ethanoyl]amino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: disodium 3-[[5-(2-hydroxyethylcarbamoyl)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-7-[[2-(4-hydroxyphenyl)-2-[(3-oxido-5-oxo-2H-1,2,4-triazine-6-carbonyl)amino]acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: disodium 3-[[[5-[(2-hydroxyethylamino)-oxomethyl]-1,3,4-thiadiazol-2-yl]thio]methyl]-7-[[2-(4-hydroxyphenyl)-2-[[(3-oxido-5-oxo-2H-1,2,4-triazin-6-yl)-oxomethyl]amino]-1-oxoethyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate IUPAC Name: disodium 3-[[5-(2-hydroxyethylcarbamoyl)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-7-[[2-(4-hydroxyphenyl)-2-[(3-oxido-5-oxo-2H-1,2,4-triazine-6-carbonyl)amino]acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: disodium 3-[[[5-(2-hydroxyethylcarbamoyl)-1,3,4-thiadiazol-2-yl]thio]methyl]-7-[[2-(4-hydroxyphenyl)-2-[(5-keto-3-oxido-2H-1,2,4-triazine-6-carbonyl)amino]acetyl]amino]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Formula: C25H21N9Na2O10S3 MolecularWeight: 749.66308

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=C(C=C3)O)NC(=O)C4=NNC(=NC4=O)[O-])C(=O)[O-])CSC5=NN=C(S5)C(=O)NCCO.[Na+].[Na+]

Isomeric SMILES

C1C(=C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=C(C=C3)O)NC(=O)C4=NNC(=NC4=O)[O-])C(=O)[O-])CSC5=NN=C(S5)C(=O)NCCO.[Na+].[Na+]

InChI

InChI=1S/C25H23N9O10S3.2Na/c35-6-5-26-19(40)20-31-33-25(47-20)46-8-10-7-45-22-14(21(41)34(22)15(10)23(42)43)28-16(37)12(9-1-3-11(36)4-2-9)27-17(38)13-18(39)29-24(44)32-30-13;;/h1-4,12,14,22,35-36H,5-8H2,(H,26,40)(H,27,38)(H,28,37)(H,42,43)(H2,29,32,39,44);;/q;2*+1/p-2