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

Systemtic Name: 6-(hexadecanoyloxymethyl)-3,3-dimethyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Openeye Name: 6-(hexadecanoyloxymethyl)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid CAS Name: 3,3-dimethyl-7-oxo-6-(1-oxohexadecoxymethyl)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid IUPAC Name: 6-(hexadecanoyloxymethyl)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Traditional Name: 6-(hexadecanoyloxymethyl)-7-keto-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Formula: C25H43NO5S MolecularWeight: 469.67762

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H43NO5S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(27)31-18-19-22(28)26-21(24(29)30)25(2,3)32-23(19)26/h19,21,23H,4-18H2,1-3H3,(H,29,30)