2-(4-propoxyphenyl)-1,2-thiazol-3-one

Systemtic Name: 2-(4-propoxyphenyl)-1,2-thiazol-3-one Openeye Name: 2-(4-propoxyphenyl)isothiazol-3-one CAS Name: 2-(4-propoxyphenyl)-3-isothiazolone IUPAC Name: 2-(4-propoxyphenyl)-1,2-thiazol-3-one Traditional Name: 2-(4-propoxyphenyl)-4-isothiazolin-3-one Formula: C12H13NO2S MolecularWeight: 235.30212

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)N2C(=O)C=CS2

Isomeric SMILES

CCCOC1=CC=C(C=C1)N2C(=O)C=CS2

InChI

InChI=1S/C12H13NO2S/c1-2-8-15-11-5-3-10(4-6-11)13-12(14)7-9-16-13/h3-7,9H,2,8H2,1H3