2-tert-butyl-5-(phenylcarbonyl)-1,2-thiazol-3-one

Systemtic Name: 2-tert-butyl-5-(phenylcarbonyl)-1,2-thiazol-3-one Openeye Name: 5-benzoyl-2-tert-butyl-isothiazol-3-one CAS Name: 5-benzoyl-2-tert-butyl-3-isothiazolone IUPAC Name: 5-benzoyl-2-tert-butyl-1,2-thiazol-3-one Traditional Name: 5-benzoyl-2-tert-butyl-4-isothiazolin-3-one Formula: C14H15NO2S MolecularWeight: 261.3394

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C(=O)C=C(S1)C(=O)C2=CC=CC=C2

Isomeric SMILES

CC(C)(C)N1C(=O)C=C(S1)C(=O)C2=CC=CC=C2

InChI

InChI=1S/C14H15NO2S/c1-14(2,3)15-12(16)9-11(18-15)13(17)10-7-5-4-6-8-10/h4-9H,1-3H3