sodium 6-(2,2-dimethylpropanoylamino)-3,3-dimethyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate

Systemtic Name: sodium 6-(2,2-dimethylpropanoylamino)-3,3-dimethyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Openeye Name: sodium 6-(2,2-dimethylpropanoylamino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate CAS Name: sodium 6-[(2,2-dimethyl-1-oxopropyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate IUPAC Name: sodium 6-(2,2-dimethylpropanoylamino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Traditional Name: sodium 7-keto-3,3-dimethyl-6-(pivaloylamino)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Formula: C13H19N2NaO4S MolecularWeight: 322.35573

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N2C(S1)C(C2=O)NC(=O)C(C)(C)C)C(=O)[O-])C.[Na+]

Isomeric SMILES

CC1(C(N2C(S1)C(C2=O)NC(=O)C(C)(C)C)C(=O)[O-])C.[Na+]

InChI

InChI=1S/C13H20N2O4S.Na/c1-12(2,3)11(19)14-6-8(16)15-7(10(17)18)13(4,5)20-9(6)15;/h6-7,9H,1-5H3,(H,14,19)(H,17,18);/q;+1/p-1