sodium 2-[(5-bromanyl-2-phenylmethoxy-phenyl)methyl]-1,3-thiazole-4-carboxylate

Systemtic Name: sodium 2-[(5-bromanyl-2-phenylmethoxy-phenyl)methyl]-1,3-thiazole-4-carboxylate Openeye Name: sodium 2-[(2-benzyloxy-5-bromo-phenyl)methyl]thiazole-4-carboxylate CAS Name: sodium 2-[(5-bromo-2-phenylmethoxyphenyl)methyl]-4-thiazolecarboxylate IUPAC Name: sodium 2-[(5-bromo-2-phenylmethoxyphenyl)methyl]-1,3-thiazole-4-carboxylate Traditional Name: sodium 2-(2-benzoxy-5-bromo-benzyl)thiazole-4-carboxylate Formula: C18H13BrNNaO3S MolecularWeight: 426.25949

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=C(C=C(C=C2)Br)CC3=NC(=CS3)C(=O)[O-].[Na+]

Isomeric SMILES

C1=CC=C(C=C1)COC2=C(C=C(C=C2)Br)CC3=NC(=CS3)C(=O)[O-].[Na+]

InChI

InChI=1S/C18H14BrNO3S.Na/c19-14-6-7-16(23-10-12-4-2-1-3-5-12)13(8-14)9-17-20-15(11-24-17)18(21)22;/h1-8,11H,9-10H2,(H,21,22);/q;+1/p-1