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

Systemtic Name: sodium (2S)-3,3-dimethyl-7-oxidanylidene-6-(propan-2-ylcarbamoylamino)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Openeye Name: sodium (2S)-6-(isopropylcarbamoylamino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate CAS Name: sodium (2S)-3,3-dimethyl-7-oxo-6-[[oxo-(propan-2-ylamino)methyl]amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate IUPAC Name: sodium (2S)-3,3-dimethyl-7-oxo-6-(propan-2-ylcarbamoylamino)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Traditional Name: sodium (2S)-6-(isopropylcarbamoylamino)-7-keto-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Formula: C12H18N3NaO4S MolecularWeight: 323.34379

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)NC1C2N(C1=O)C(C(S2)(C)C)C(=O)[O-].[Na+]

Isomeric SMILES

CC(C)NC(=O)NC1C2N(C1=O)[C@H](C(S2)(C)C)C(=O)[O-].[Na+]

InChI

InChI=1S/C12H19N3O4S.Na/c1-5(2)13-11(19)14-6-8(16)15-7(10(17)18)12(3,4)20-9(6)15;/h5-7,9H,1-4H3,(H,17,18)(H2,13,14,19);/q;+1/p-1/t6?,7-,9?;/m0./s1