2-[2-(3-bromanyl-4-hexoxy-phenyl)-1,3-thiazol-4-yl]ethanoate

Systemtic Name: 2-[2-(3-bromanyl-4-hexoxy-phenyl)-1,3-thiazol-4-yl]ethanoate Openeye Name: 2-[2-(3-bromo-4-hexoxy-phenyl)thiazol-4-yl]acetate CAS Name: 2-[2-(3-bromo-4-hexoxyphenyl)-4-thiazolyl]acetate IUPAC Name: 2-[2-(3-bromo-4-hexoxyphenyl)-1,3-thiazol-4-yl]acetate Traditional Name: 2-[2-(3-bromo-4-hexoxy-phenyl)thiazol-4-yl]acetate Formula: C17H19BrNO3S- MolecularWeight: 397.30666

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)C2=NC(=CS2)CC(=O)[O-])Br

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)C2=NC(=CS2)CC(=O)[O-])Br

InChI

InChI=1S/C17H20BrNO3S/c1-2-3-4-5-8-22-15-7-6-12(9-14(15)18)17-19-13(11-23-17)10-16(20)21/h6-7,9,11H,2-5,8,10H2,1H3,(H,20,21)/p-1