1-(1,3-benzothiazol-2-yl)-3-methyl-butan-1-one

Systemtic Name: 1-(1,3-benzothiazol-2-yl)-3-methyl-butan-1-one Openeye Name: 1-(1,3-benzothiazol-2-yl)-3-methyl-butan-1-one CAS Name: 1-(1,3-benzothiazol-2-yl)-3-methyl-1-butanone IUPAC Name: 1-(1,3-benzothiazol-2-yl)-3-methylbutan-1-one Traditional Name: 1-(1,3-benzothiazol-2-yl)-3-methyl-butan-1-one Formula: C12H13NOS MolecularWeight: 219.30272

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)C1=NC2=CC=CC=C2S1

Isomeric SMILES

CC(C)CC(=O)C1=NC2=CC=CC=C2S1

InChI

InChI=1S/C12H13NOS/c1-8(2)7-10(14)12-13-9-5-3-4-6-11(9)15-12/h3-6,8H,7H2,1-2H3