(2R,5S,6R)-6-hexanoyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

Systemtic Name: (2R,5S,6R)-6-hexanoyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Openeye Name: (2R,5S,6R)-6-hexanoyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid CAS Name: (2R,5S,6R)-7-oxo-6-(1-oxohexyl)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid IUPAC Name: (2R,5S,6R)-6-hexanoyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Traditional Name: (2R,5S,6R)-6-caproyl-7-keto-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Formula: C12H17NO4S MolecularWeight: 271.33268

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)C1C2N(C1=O)C(CS2)C(=O)O

Isomeric SMILES

CCCCCC(=O)[C@H]1[C@H]2N(C1=O)[C@@H](CS2)C(=O)O

InChI

InChI=1S/C12H17NO4S/c1-2-3-4-5-8(14)9-10(15)13-7(12(16)17)6-18-11(9)13/h7,9,11H,2-6H2,1H3,(H,16,17)/t7-,9+,11-/m0/s1