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

Systemtic Name: 7-azanyl-3-(butoxymethyl)-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-amino-3-(butoxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-amino-3-(butoxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-amino-3-(butoxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 7-amino-3-(butoxymethyl)-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C12H18N2O4S MolecularWeight: 286.34732

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOCC1=C(N2C(C(C2=O)N)SC1)C(=O)O

Isomeric SMILES

CCCCOCC1=C(N2C(C(C2=O)N)SC1)C(=O)O

InChI

InChI=1S/C12H18N2O4S/c1-2-3-4-18-5-7-6-19-11-8(13)10(15)14(11)9(7)12(16)17/h8,11H,2-6,13H2,1H3,(H,16,17)