1-[2-[2-(4-bromanylbutoxy)-5-methoxy-phenyl]-2H-1,3-benzothiazol-3-yl]ethanone

Systemtic Name: 1-[2-[2-(4-bromanylbutoxy)-5-methoxy-phenyl]-2H-1,3-benzothiazol-3-yl]ethanone Openeye Name: 1-[2-[2-(4-bromobutoxy)-5-methoxy-phenyl]-2H-1,3-benzothiazol-3-yl]ethanone CAS Name: 1-[2-[2-(4-bromobutoxy)-5-methoxyphenyl]-2H-1,3-benzothiazol-3-yl]ethanone IUPAC Name: 1-[2-[2-(4-bromobutoxy)-5-methoxyphenyl]-2H-1,3-benzothiazol-3-yl]ethanone Traditional Name: 1-[2-[2-(4-bromobutoxy)-5-methoxy-phenyl]-2H-1,3-benzothiazol-3-yl]ethanone Formula: C20H22BrNO3S MolecularWeight: 436.36258

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22BrNO3S/c1-14(23)22-17-7-3-4-8-19(17)26-20(22)16-13-15(24-2)9-10-18(16)25-12-6-5-11-21/h3-4,7-10,13,20H,5-6,11-12H2,1-2H3