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

Systemtic Name: 2-[2-(3-bromanyl-4-butoxy-phenyl)-1,3-thiazol-4-yl]ethanoate Openeye Name: 2-[2-(3-bromo-4-butoxy-phenyl)thiazol-4-yl]acetate CAS Name: 2-[2-(3-bromo-4-butoxyphenyl)-4-thiazolyl]acetate IUPAC Name: 2-[2-(3-bromo-4-butoxyphenyl)-1,3-thiazol-4-yl]acetate Traditional Name: 2-[2-(3-bromo-4-butoxy-phenyl)thiazol-4-yl]acetate Formula: C15H15BrNO3S- MolecularWeight: 369.2535

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C2=NC(=CS2)CC(=O)[O-])Br

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C2=NC(=CS2)CC(=O)[O-])Br

InChI

InChI=1S/C15H16BrNO3S/c1-2-3-6-20-13-5-4-10(7-12(13)16)15-17-11(9-21-15)8-14(18)19/h4-5,7,9H,2-3,6,8H2,1H3,(H,18,19)/p-1