sodium 2-[2-(5-bromanyl-2-phenylmethoxy-phenyl)-1,3-thiazol-4-yl]-2-methyl-propanoate

Systemtic Name: sodium 2-[2-(5-bromanyl-2-phenylmethoxy-phenyl)-1,3-thiazol-4-yl]-2-methyl-propanoate Openeye Name: sodium 2-[2-(2-benzyloxy-5-bromo-phenyl)thiazol-4-yl]-2-methyl-propanoate CAS Name: sodium 2-[2-(5-bromo-2-phenylmethoxyphenyl)-4-thiazolyl]-2-methylpropanoate IUPAC Name: sodium 2-[2-(5-bromo-2-phenylmethoxyphenyl)-1,3-thiazol-4-yl]-2-methylpropanoate Traditional Name: sodium 2-[2-(2-benzoxy-5-bromo-phenyl)thiazol-4-yl]-2-methyl-propionate Formula: C20H17BrNNaO3S MolecularWeight: 454.31265

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=CSC(=N1)C2=C(C=CC(=C2)Br)OCC3=CC=CC=C3)C(=O)[O-].[Na+]

Isomeric SMILES

CC(C)(C1=CSC(=N1)C2=C(C=CC(=C2)Br)OCC3=CC=CC=C3)C(=O)[O-].[Na+]

InChI

InChI=1S/C20H18BrNO3S.Na/c1-20(2,19(23)24)17-12-26-18(22-17)15-10-14(21)8-9-16(15)25-11-13-6-4-3-5-7-13;/h3-10,12H,11H2,1-2H3,(H,23,24);/q;+1/p-1