sodium 7-[[(2E)-2-(2-azanyl-1,3-thiazol-4-yl)-2-hydroxyimino-ethanoyl]amino]-3-[[3-carboxy-6,7,8-tris(fluoranyl)-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-[[3-carboxy-6,7,8-tris(fluoranyl)-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-[(3-carboxy-6,7,8-trifluoro-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-[[(3-carboxy-6,7,8-trifluoro-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-[(3-carboxy-6,7,8-trifluoro-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-[[(3-carboxy-6,7,8-trifluoro-4-keto-thiochromen-2-yl)thio]methyl]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Formula: C23H13F3N5NaO8S4 MolecularWeight: 695.623

Click to see the large picture

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=C(C(=O)C5=CC(=C(C(=C5S4)F)F)F)C(=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=C(C(=O)C5=CC(=C(C(=C5S4)F)F)F)C(=O)O.[Na+]

InChI

InChI=1S/C23H14F3N5O8S4.Na/c24-7-1-6-15(32)9(20(35)36)22(43-16(6)11(26)10(7)25)41-3-5-2-40-19-13(18(34)31(19)14(5)21(37)38)29-17(33)12(30-39)8-4-42-23(27)28-8;/h1,4,13,19,39H,2-3H2,(H2,27,28)(H,29,33)(H,35,36)(H,37,38);/q;+1/p-1/b30-12+;