6-butanoyl-3-methyl-1,3-benzothiazol-2-one

Systemtic Name: 6-butanoyl-3-methyl-1,3-benzothiazol-2-one Openeye Name: 6-butanoyl-3-methyl-1,3-benzothiazol-2-one CAS Name: 3-methyl-6-(1-oxobutyl)-1,3-benzothiazol-2-one IUPAC Name: 6-butanoyl-3-methyl-1,3-benzothiazol-2-one Traditional Name: 6-butyryl-3-methyl-1,3-benzothiazol-2-one Formula: C12H13NO2S MolecularWeight: 235.30212

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1=CC2=C(C=C1)N(C(=O)S2)C

Isomeric SMILES

CCCC(=O)C1=CC2=C(C=C1)N(C(=O)S2)C

InChI

InChI=1S/C12H13NO2S/c1-3-4-10(14)8-5-6-9-11(7-8)16-12(15)13(9)2/h5-7H,3-4H2,1-2H3