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

Systemtic Name: 1-[2-[2-(3-bromanylpropoxy)-5-methoxy-phenyl]-2H-1,3-benzothiazol-3-yl]ethanone Openeye Name: 1-[2-[2-(3-bromopropoxy)-5-methoxy-phenyl]-2H-1,3-benzothiazol-3-yl]ethanone CAS Name: 1-[2-[2-(3-bromopropoxy)-5-methoxyphenyl]-2H-1,3-benzothiazol-3-yl]ethanone IUPAC Name: 1-[2-[2-(3-bromopropoxy)-5-methoxyphenyl]-2H-1,3-benzothiazol-3-yl]ethanone Traditional Name: 1-[2-[2-(3-bromopropoxy)-5-methoxy-phenyl]-2H-1,3-benzothiazol-3-yl]ethanone Formula: C19H20BrNO3S MolecularWeight: 422.336

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20BrNO3S/c1-13(22)21-16-6-3-4-7-18(16)25-19(21)15-12-14(23-2)8-9-17(15)24-11-5-10-20/h3-4,6-9,12,19H,5,10-11H2,1-2H3