3-methoxy-8-oxidanylidene-7-(3-oxidanylidenebutanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 3-methoxy-8-oxidanylidene-7-(3-oxidanylidenebutanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 3-methoxy-8-oxo-7-(3-oxobutanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-(1,3-dioxobutylamino)-3-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 3-methoxy-8-oxo-7-(3-oxobutanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 7-(acetoacetylamino)-8-keto-3-methoxy-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C12H14N2O6S MolecularWeight: 314.31436

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(=O)NC1C2N(C1=O)C(=C(CS2)OC)C(=O)O

Isomeric SMILES

CC(=O)CC(=O)NC1C2N(C1=O)C(=C(CS2)OC)C(=O)O

InChI

InChI=1S/C12H14N2O6S/c1-5(15)3-7(16)13-8-10(17)14-9(12(18)19)6(20-2)4-21-11(8)14/h8,11H,3-4H2,1-2H3,(H,13,16)(H,18,19)