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

Systemtic Name: 7-azanyl-8-oxidanylidene-3-(3-oxidanylidenebutoxymethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-amino-8-oxo-3-(3-oxobutoxymethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-amino-8-oxo-3-(3-oxobutoxymethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-amino-8-oxo-3-(3-oxobutoxymethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 7-amino-8-keto-3-(3-ketobutoxymethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C12H16N2O5S MolecularWeight: 300.33084

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCOCC1=C(N2C(C(C2=O)N)SC1)C(=O)O

Isomeric SMILES

CC(=O)CCOCC1=C(N2C(C(C2=O)N)SC1)C(=O)O

InChI

InChI=1S/C12H16N2O5S/c1-6(15)2-3-19-4-7-5-20-11-8(13)10(16)14(11)9(7)12(17)18/h8,11H,2-5,13H2,1H3,(H,17,18)