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

Systemtic Name: 2-[2-(3-bromanyl-4-butoxy-5-methoxy-phenyl)-1,3-thiazol-4-yl]ethanoic acid Openeye Name: 2-[2-(3-bromo-4-butoxy-5-methoxy-phenyl)thiazol-4-yl]acetic acid CAS Name: 2-[2-(3-bromo-4-butoxy-5-methoxyphenyl)-4-thiazolyl]acetic acid IUPAC Name: 2-[2-(3-bromo-4-butoxy-5-methoxyphenyl)-1,3-thiazol-4-yl]acetic acid Traditional Name: 2-[2-(3-bromo-4-butoxy-5-methoxy-phenyl)thiazol-4-yl]acetic acid Formula: C16H18BrNO4S MolecularWeight: 400.28742

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1Br)C2=NC(=CS2)CC(=O)O)OC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1Br)C2=NC(=CS2)CC(=O)O)OC

InChI

InChI=1S/C16H18BrNO4S/c1-3-4-5-22-15-12(17)6-10(7-13(15)21-2)16-18-11(9-23-16)8-14(19)20/h6-7,9H,3-5,8H2,1-2H3,(H,19,20)