disodium (6R,7R)-7-[[(E)-2-(2-azanyl-1,3-thiazol-4-yl)-5-oxidanidyl-5-oxidanylidene-pent-2-enoyl]amino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: disodium (6R,7R)-7-[[(E)-2-(2-azanyl-1,3-thiazol-4-yl)-5-oxidanidyl-5-oxidanylidene-pent-2-enoyl]amino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: disodium (6R,7R)-7-[[(E)-2-(2-aminothiazol-4-yl)-5-oxido-5-oxo-pent-2-enoyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: disodium (6R,7R)-7-[[(E)-2-(2-amino-4-thiazolyl)-5-oxido-1,5-dioxopent-2-enyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate IUPAC Name: disodium (6R,7R)-7-[[(E)-2-(2-amino-1,3-thiazol-4-yl)-5-oxido-5-oxopent-2-enoyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: disodium (6R,7R)-7-[[(E)-2-(2-aminothiazol-4-yl)-5-keto-5-oxido-pent-2-enoyl]amino]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Formula: C15H12N4Na2O6S2 MolecularWeight: 454.38852

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Descriptors Computed from Structure

Canonical SMILES:

C1C=C(N2C(S1)C(C2=O)NC(=O)C(=CCC(=O)[O-])C3=CSC(=N3)N)C(=O)[O-].[Na+].[Na+]

Isomeric SMILES

C1C=C(N2[C@H](S1)[C@@H](C2=O)NC(=O)/C(=C/CC(=O)[O-])/C3=CSC(=N3)N)C(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C15H14N4O6S2.2Na/c16-15-17-7(5-27-15)6(1-2-9(20)21)11(22)18-10-12(23)19-8(14(24)25)3-4-26-13(10)19;;/h1,3,5,10,13H,2,4H2,(H2,16,17)(H,18,22)(H,20,21)(H,24,25);;/q;2*+1/p-2/b6-1+;;/t10-,13-;;/m1../s1