1-[2-[2-(5-bromanylpentoxy)-5-methoxy-phenyl]-2H-1,3-benzothiazol-3-yl]ethanone

Systemtic Name: 1-[2-[2-(5-bromanylpentoxy)-5-methoxy-phenyl]-2H-1,3-benzothiazol-3-yl]ethanone Openeye Name: 1-[2-[2-(5-bromopentoxy)-5-methoxy-phenyl]-2H-1,3-benzothiazol-3-yl]ethanone CAS Name: 1-[2-[2-(5-bromopentoxy)-5-methoxyphenyl]-2H-1,3-benzothiazol-3-yl]ethanone IUPAC Name: 1-[2-[2-(5-bromopentoxy)-5-methoxyphenyl]-2H-1,3-benzothiazol-3-yl]ethanone Traditional Name: 1-[2-[2-(5-bromopentoxy)-5-methoxy-phenyl]-2H-1,3-benzothiazol-3-yl]ethanone Formula: C21H24BrNO3S MolecularWeight: 450.38916

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C(SC2=CC=CC=C21)C3=C(C=CC(=C3)OC)OCCCCCBr

Isomeric SMILES

CC(=O)N1C(SC2=CC=CC=C21)C3=C(C=CC(=C3)OC)OCCCCCBr

InChI

InChI=1S/C21H24BrNO3S/c1-15(24)23-18-8-4-5-9-20(18)27-21(23)17-14-16(25-2)10-11-19(17)26-13-7-3-6-12-22/h4-5,8-11,14,21H,3,6-7,12-13H2,1-2H3