3-methyl-6-(4-oxidanylbutyl)-1,3-benzothiazol-2-one

Systemtic Name: 3-methyl-6-(4-oxidanylbutyl)-1,3-benzothiazol-2-one Openeye Name: 6-(4-hydroxybutyl)-3-methyl-1,3-benzothiazol-2-one CAS Name: 6-(4-hydroxybutyl)-3-methyl-1,3-benzothiazol-2-one IUPAC Name: 6-(4-hydroxybutyl)-3-methyl-1,3-benzothiazol-2-one Traditional Name: 6-(4-hydroxybutyl)-3-methyl-1,3-benzothiazol-2-one Formula: C12H15NO2S MolecularWeight: 237.318

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)CCCCO)SC1=O

Isomeric SMILES

CN1C2=C(C=C(C=C2)CCCCO)SC1=O

InChI

InChI=1S/C12H15NO2S/c1-13-10-6-5-9(4-2-3-7-14)8-11(10)16-12(13)15/h5-6,8,14H,2-4,7H2,1H3