2-[2-(5-bromanyl-2-hexoxy-phenyl)-1,3-thiazol-4-yl]ethanoic acid

Systemtic Name: 2-[2-(5-bromanyl-2-hexoxy-phenyl)-1,3-thiazol-4-yl]ethanoic acid Openeye Name: 2-[2-(5-bromo-2-hexoxy-phenyl)thiazol-4-yl]acetic acid CAS Name: 2-[2-(5-bromo-2-hexoxyphenyl)-4-thiazolyl]acetic acid IUPAC Name: 2-[2-(5-bromo-2-hexoxyphenyl)-1,3-thiazol-4-yl]acetic acid Traditional Name: 2-[2-(5-bromo-2-hexoxy-phenyl)thiazol-4-yl]acetic acid Formula: C17H20BrNO3S MolecularWeight: 398.3146

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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