2-hexyl-5-methyl-1,2-benzothiazol-3-one

Systemtic Name: 2-hexyl-5-methyl-1,2-benzothiazol-3-one Openeye Name: 2-hexyl-5-methyl-1,2-benzothiazol-3-one CAS Name: 2-hexyl-5-methyl-1,2-benzothiazol-3-one IUPAC Name: 2-hexyl-5-methyl-1,2-benzothiazol-3-one Traditional Name: 2-hexyl-5-methyl-1,2-benzothiazol-3-one Formula: C14H19NOS MolecularWeight: 249.37176

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=O)C2=C(S1)C=CC(=C2)C

Isomeric SMILES

CCCCCCN1C(=O)C2=C(S1)C=CC(=C2)C

InChI

InChI=1S/C14H19NOS/c1-3-4-5-6-9-15-14(16)12-10-11(2)7-8-13(12)17-15/h7-8,10H,3-6,9H2,1-2H3