2-[2-(3-bromanyl-4-pentoxy-phenyl)-1,3-thiazol-4-yl]ethanoic acid

Systemtic Name: 2-[2-(3-bromanyl-4-pentoxy-phenyl)-1,3-thiazol-4-yl]ethanoic acid Openeye Name: 2-[2-(3-bromo-4-pentoxy-phenyl)thiazol-4-yl]acetic acid CAS Name: 2-[2-(3-bromo-4-pentoxyphenyl)-4-thiazolyl]acetic acid IUPAC Name: 2-[2-(3-bromo-4-pentoxyphenyl)-1,3-thiazol-4-yl]acetic acid Traditional Name: 2-[2-(4-amoxy-3-bromo-phenyl)thiazol-4-yl]acetic acid Formula: C16H18BrNO3S MolecularWeight: 384.28802

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=C(C=C(C=C1)C2=NC(=CS2)CC(=O)O)Br

Isomeric SMILES

CCCCCOC1=C(C=C(C=C1)C2=NC(=CS2)CC(=O)O)Br

InChI

InChI=1S/C16H18BrNO3S/c1-2-3-4-7-21-14-6-5-11(8-13(14)17)16-18-12(10-22-16)9-15(19)20/h5-6,8,10H,2-4,7,9H2,1H3,(H,19,20)