2-[4-bromanyl-2-[2-[(4-methylphenyl)amino]-1,3-thiazol-4-yl]phenoxy]ethanoic acid

Systemtic Name: 2-[4-bromanyl-2-[2-[(4-methylphenyl)amino]-1,3-thiazol-4-yl]phenoxy]ethanoic acid Openeye Name: 2-[4-bromo-2-[2-(4-methylanilino)thiazol-4-yl]phenoxy]acetic acid CAS Name: 2-[4-bromo-2-[2-(4-methylanilino)-4-thiazolyl]phenoxy]acetic acid IUPAC Name: 2-[4-bromo-2-[2-(4-methylanilino)-1,3-thiazol-4-yl]phenoxy]acetic acid Traditional Name: 2-[4-bromo-2-[2-(p-toluidino)thiazol-4-yl]phenoxy]acetic acid Formula: C18H15BrN2O3S MolecularWeight: 419.2923

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=NC(=CS2)C3=C(C=CC(=C3)Br)OCC(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)NC2=NC(=CS2)C3=C(C=CC(=C3)Br)OCC(=O)O

InChI

InChI=1S/C18H15BrN2O3S/c1-11-2-5-13(6-3-11)20-18-21-15(10-25-18)14-8-12(19)4-7-16(14)24-9-17(22)23/h2-8,10H,9H2,1H3,(H,20,21)(H,22,23)