disodium 6-[(3-carboxylatoquinoxalin-2-yl)carbonylamino]-3,3-dimethyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate

Systemtic Name: disodium 6-[(3-carboxylatoquinoxalin-2-yl)carbonylamino]-3,3-dimethyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Openeye Name: disodium 6-[(3-carboxylatoquinoxaline-2-carbonyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate CAS Name: disodium 6-[[(3-carboxylato-2-quinoxalinyl)-oxomethyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate IUPAC Name: disodium 6-[(3-carboxylatoquinoxaline-2-carbonyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Traditional Name: disodium 6-[(3-carboxylatoquinoxaline-2-carbonyl)amino]-7-keto-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Formula: C18H14N4Na2O6S MolecularWeight: 460.3715

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N2C(S1)C(C2=O)NC(=O)C3=NC4=CC=CC=C4N=C3C(=O)[O-])C(=O)[O-])C.[Na+].[Na+]

Isomeric SMILES

CC1(C(N2C(S1)C(C2=O)NC(=O)C3=NC4=CC=CC=C4N=C3C(=O)[O-])C(=O)[O-])C.[Na+].[Na+]

InChI

InChI=1S/C18H16N4O6S.2Na/c1-18(2)12(17(27)28)22-14(24)11(15(22)29-18)21-13(23)9-10(16(25)26)20-8-6-4-3-5-7(8)19-9;;/h3-6,11-12,15H,1-2H3,(H,21,23)(H,25,26)(H,27,28);;/q;2*+1/p-2