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

Systemtic Name: 2-[2-(5-bromanyl-2-butoxy-phenyl)-1,3-thiazol-4-yl]ethanoic acid Openeye Name: 2-[2-(5-bromo-2-butoxy-phenyl)thiazol-4-yl]acetic acid CAS Name: 2-[2-(5-bromo-2-butoxyphenyl)-4-thiazolyl]acetic acid IUPAC Name: 2-[2-(5-bromo-2-butoxyphenyl)-1,3-thiazol-4-yl]acetic acid Traditional Name: 2-[2-(5-bromo-2-butoxy-phenyl)thiazol-4-yl]acetic acid Formula: C15H16BrNO3S MolecularWeight: 370.26144

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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