5-(phenylcarbonyl)-2-prop-2-enyl-1,2-thiazol-3-one

Systemtic Name: 5-(phenylcarbonyl)-2-prop-2-enyl-1,2-thiazol-3-one Openeye Name: 2-allyl-5-benzoyl-isothiazol-3-one CAS Name: 5-benzoyl-2-prop-2-enyl-3-isothiazolone IUPAC Name: 5-benzoyl-2-prop-2-enyl-1,2-thiazol-3-one Traditional Name: 2-allyl-5-benzoyl-4-isothiazolin-3-one Formula: C13H11NO2S MolecularWeight: 245.29694

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C=C(S1)C(=O)C2=CC=CC=C2

Isomeric SMILES

C=CCN1C(=O)C=C(S1)C(=O)C2=CC=CC=C2

InChI

InChI=1S/C13H11NO2S/c1-2-8-14-12(15)9-11(17-14)13(16)10-6-4-3-5-7-10/h2-7,9H,1,8H2