6-ethyl-3-(4-oxidanylbutylsulfanyl)-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

Systemtic Name: 6-ethyl-3-(4-oxidanylbutylsulfanyl)-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Openeye Name: 6-ethyl-3-(4-hydroxybutylsulfanyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid CAS Name: 6-ethyl-3-(4-hydroxybutylthio)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid IUPAC Name: 6-ethyl-3-(4-hydroxybutylsulfanyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Traditional Name: 6-ethyl-3-(4-hydroxybutylthio)-7-keto-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Formula: C13H19NO4S MolecularWeight: 285.35926

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C2CC(=C(N2C1=O)C(=O)O)SCCCCO

Isomeric SMILES

CCC1C2CC(=C(N2C1=O)C(=O)O)SCCCCO

InChI

InChI=1S/C13H19NO4S/c1-2-8-9-7-10(19-6-4-3-5-15)11(13(17)18)14(9)12(8)16/h8-9,15H,2-7H2,1H3,(H,17,18)