sodium 3-(acetyloxymethyl)-8-oxidanylidene-7-[[2-oxidanyl-2-[2-[2,2,2-tris(chloranyl)ethoxycarbonylamino]-1,3-thiazol-4-yl]ethanoyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: sodium 3-(acetyloxymethyl)-8-oxidanylidene-7-[[2-oxidanyl-2-[2-[2,2,2-tris(chloranyl)ethoxycarbonylamino]-1,3-thiazol-4-yl]ethanoyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: sodium 3-(acetoxymethyl)-7-[[2-hydroxy-2-[2-(2,2,2-trichloroethoxycarbonylamino)thiazol-4-yl]acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: sodium 3-(acetyloxymethyl)-7-[[2-hydroxy-1-oxo-2-[2-[[oxo(2,2,2-trichloroethoxy)methyl]amino]-4-thiazolyl]ethyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate IUPAC Name: sodium 3-(acetyloxymethyl)-7-[[2-hydroxy-2-[2-(2,2,2-trichloroethoxycarbonylamino)-1,3-thiazol-4-yl]acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: sodium 3-(acetoxymethyl)-7-[[2-hydroxy-2-[2-(2,2,2-trichloroethoxycarbonylamino)thiazol-4-yl]acetyl]amino]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Formula: C18H16Cl3N4NaO9S2 MolecularWeight: 625.81981

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1=C(N2C(C(C2=O)NC(=O)C(C3=CSC(=N3)NC(=O)OCC(Cl)(Cl)Cl)O)SC1)C(=O)[O-].[Na+]

Isomeric SMILES

CC(=O)OCC1=C(N2C(C(C2=O)NC(=O)C(C3=CSC(=N3)NC(=O)OCC(Cl)(Cl)Cl)O)SC1)C(=O)[O-].[Na+]

InChI

InChI=1S/C18H17Cl3N4O9S2.Na/c1-6(26)33-2-7-3-35-14-9(13(29)25(14)10(7)15(30)31)23-12(28)11(27)8-4-36-16(22-8)24-17(32)34-5-18(19,20)21;/h4,9,11,14,27H,2-3,5H2,1H3,(H,23,28)(H,30,31)(H,22,24,32);/q;+1/p-1