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

Systemtic Name: 3,3-dimethyl-7-oxidanylidene-6-(3-oxidanylidenebutanoylamino)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Openeye Name: 3,3-dimethyl-7-oxo-6-(3-oxobutanoylamino)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid CAS Name: 6-(1,3-dioxobutylamino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid IUPAC Name: 3,3-dimethyl-7-oxo-6-(3-oxobutanoylamino)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Traditional Name: 6-(acetoacetylamino)-7-keto-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Formula: C12H16N2O5S MolecularWeight: 300.33084

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(=O)NC1C2N(C1=O)C(C(S2)(C)C)C(=O)O

Isomeric SMILES

CC(=O)CC(=O)NC1C2N(C1=O)C(C(S2)(C)C)C(=O)O

InChI

InChI=1S/C12H16N2O5S/c1-5(15)4-6(16)13-7-9(17)14-8(11(18)19)12(2,3)20-10(7)14/h7-8,10H,4H2,1-3H3,(H,13,16)(H,18,19)