2-oxidanyl-8-oxidanylidene-3-phenylsulfanyl-4-thia-1-azabicyclo[4.2.0]octane-2-carboxylic acid

Systemtic Name: 2-oxidanyl-8-oxidanylidene-3-phenylsulfanyl-4-thia-1-azabicyclo[4.2.0]octane-2-carboxylic acid Openeye Name: 2-hydroxy-8-oxo-3-phenylsulfanyl-4-thia-1-azabicyclo[4.2.0]octane-2-carboxylic acid CAS Name: 2-hydroxy-8-oxo-3-(phenylthio)-4-thia-1-azabicyclo[4.2.0]octane-2-carboxylic acid IUPAC Name: 2-hydroxy-8-oxo-3-phenylsulfanyl-4-thia-1-azabicyclo[4.2.0]octane-2-carboxylic acid Traditional Name: 2-hydroxy-8-keto-3-(phenylthio)-4-thia-1-azabicyclo[4.2.0]octane-2-carboxylic acid Formula: C13H13NO4S2 MolecularWeight: 311.37662

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CSC(C(N2C1=O)(C(=O)O)O)SC3=CC=CC=C3

Isomeric SMILES

C1C2CSC(C(N2C1=O)(C(=O)O)O)SC3=CC=CC=C3

InChI

InChI=1S/C13H13NO4S2/c15-10-6-8-7-19-12(13(18,11(16)17)14(8)10)20-9-4-2-1-3-5-9/h1-5,8,12,18H,6-7H2,(H,16,17)