3,3-dimethyl-7-oxidanylidene-6-(undecanoyloxymethyl)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

Systemtic Name: 3,3-dimethyl-7-oxidanylidene-6-(undecanoyloxymethyl)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Openeye Name: 3,3-dimethyl-7-oxo-6-(undecanoyloxymethyl)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid CAS Name: 3,3-dimethyl-7-oxo-6-(1-oxoundecoxymethyl)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid IUPAC Name: 3,3-dimethyl-7-oxo-6-(undecanoyloxymethyl)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Traditional Name: 7-keto-3,3-dimethyl-6-(undecanoyloxymethyl)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Formula: C20H33NO5S MolecularWeight: 399.54472

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC(=O)OCC1C2N(C1=O)C(C(S2)(C)C)C(=O)O

Isomeric SMILES

CCCCCCCCCCC(=O)OCC1C2N(C1=O)C(C(S2)(C)C)C(=O)O

InChI

InChI=1S/C20H33NO5S/c1-4-5-6-7-8-9-10-11-12-15(22)26-13-14-17(23)21-16(19(24)25)20(2,3)27-18(14)21/h14,16,18H,4-13H2,1-3H3,(H,24,25)