2-[2-[2-(4-bromanyl-2,6-dimethyl-phenoxy)ethylamino]-1,3-thiazol-4-yl]ethanoic acid

Systemtic Name: 2-[2-[2-(4-bromanyl-2,6-dimethyl-phenoxy)ethylamino]-1,3-thiazol-4-yl]ethanoic acid Openeye Name: 2-[2-[2-(4-bromo-2,6-dimethyl-phenoxy)ethylamino]thiazol-4-yl]acetic acid CAS Name: 2-[2-[2-(4-bromo-2,6-dimethylphenoxy)ethylamino]-4-thiazolyl]acetic acid IUPAC Name: 2-[2-[2-(4-bromo-2,6-dimethylphenoxy)ethylamino]-1,3-thiazol-4-yl]acetic acid Traditional Name: 2-[2-[2-(4-bromo-2,6-dimethyl-phenoxy)ethylamino]thiazol-4-yl]acetic acid Formula: C15H17BrN2O3S MolecularWeight: 385.27608

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OCCNC2=NC(=CS2)CC(=O)O)C)Br

Isomeric SMILES

CC1=CC(=CC(=C1OCCNC2=NC(=CS2)CC(=O)O)C)Br

InChI

InChI=1S/C15H17BrN2O3S/c1-9-5-11(16)6-10(2)14(9)21-4-3-17-15-18-12(8-22-15)7-13(19)20/h5-6,8H,3-4,7H2,1-2H3,(H,17,18)(H,19,20)