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

Systemtic Name: 3-methyl-8-oxidanylidene-7-(3-oxidanylidenebutanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 3-methyl-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-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 3-methyl-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-methyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C12H14N2O5S MolecularWeight: 298.31496

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N2C(C(C2=O)NC(=O)CC(=O)C)SC1)C(=O)O

Isomeric SMILES

CC1=C(N2C(C(C2=O)NC(=O)CC(=O)C)SC1)C(=O)O

InChI

InChI=1S/C12H14N2O5S/c1-5-4-20-11-8(13-7(16)3-6(2)15)10(17)14(11)9(5)12(18)19/h8,11H,3-4H2,1-2H3,(H,13,16)(H,18,19)