sodium 7-[[(2E)-2-(2-azanyl-1,3-thiazol-4-yl)-2-hydroxyimino-ethanoyl]amino]-3-[[6,7-bis(oxidanyl)-4-oxidanylidene-thiochromen-2-yl]sulfanylmethyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: sodium 7-[[(2E)-2-(2-azanyl-1,3-thiazol-4-yl)-2-hydroxyimino-ethanoyl]amino]-3-[[6,7-bis(oxidanyl)-4-oxidanylidene-thiochromen-2-yl]sulfanylmethyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: sodium 7-[[(2E)-2-(2-aminothiazol-4-yl)-2-hydroxyimino-acetyl]amino]-3-[(6,7-dihydroxy-4-oxo-thiochromen-2-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: sodium 7-[[(2E)-2-(2-amino-4-thiazolyl)-2-hydroxyimino-1-oxoethyl]amino]-3-[[(6,7-dihydroxy-4-oxo-1-benzothiopyran-2-yl)thio]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate IUPAC Name: sodium 7-[[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-hydroxyiminoacetyl]amino]-3-[(6,7-dihydroxy-4-oxothiochromen-2-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: sodium 7-[[(2E)-2-(2-aminothiazol-4-yl)-2-hydroximino-acetyl]amino]-3-[[(6,7-dihydroxy-4-keto-thiochromen-2-yl)thio]methyl]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Formula: C22H16N5NaO8S4 MolecularWeight: 629.64091

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=C(N2C(S1)C(C2=O)NC(=O)C(=NO)C3=CSC(=N3)N)C(=O)[O-])CSC4=CC(=O)C5=CC(=C(C=C5S4)O)O.[Na+]

Isomeric SMILES

C1C(=C(N2C(S1)C(C2=O)NC(=O)/C(=N/O)/C3=CSC(=N3)N)C(=O)[O-])CSC4=CC(=O)C5=CC(=C(C=C5S4)O)O.[Na+]

InChI

InChI=1S/C22H17N5O8S4.Na/c23-22-24-9(6-38-22)15(26-35)18(31)25-16-19(32)27-17(21(33)34)7(5-37-20(16)27)4-36-14-3-10(28)8-1-11(29)12(30)2-13(8)39-14;/h1-3,6,16,20,29-30,35H,4-5H2,(H2,23,24)(H,25,31)(H,33,34);/q;+1/p-1/b26-15+;