S-phenyl 8-oxidanylidene-1-azabicyclo[4.2.0]octane-2-carbothioate

Systemtic Name: S-phenyl 8-oxidanylidene-1-azabicyclo[4.2.0]octane-2-carbothioate Openeye Name: S-phenyl 8-oxo-1-azabicyclo[4.2.0]octane-2-carbothioate CAS Name: 8-oxo-1-azabicyclo[4.2.0]octane-2-carbothioic acid S-phenyl ester IUPAC Name: S-phenyl 8-oxo-1-azabicyclo[4.2.0]octane-2-carbothioate Traditional Name: 8-keto-1-azabicyclo[4.2.0]octane-2-carbothioic acid S-phenyl ester Formula: C14H15NO2S MolecularWeight: 261.3394

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2CC(=O)N2C(C1)C(=O)SC3=CC=CC=C3

Isomeric SMILES

C1CC2CC(=O)N2C(C1)C(=O)SC3=CC=CC=C3

InChI

InChI=1S/C14H15NO2S/c16-13-9-10-5-4-8-12(15(10)13)14(17)18-11-6-2-1-3-7-11/h1-3,6-7,10,12H,4-5,8-9H2