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

Systemtic Name: 3-(methoxymethyl)-8-oxidanylidene-7-(3-oxidanylidenebutanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 3-(methoxymethyl)-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-(methoxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 3-(methoxymethyl)-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-(methoxymethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C13H16N2O6S MolecularWeight: 328.34094

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16N2O6S/c1-6(16)3-8(17)14-9-11(18)15-10(13(19)20)7(4-21-2)5-22-12(9)15/h9,12H,3-5H2,1-2H3,(H,14,17)(H,19,20)