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

Systemtic Name: sodium 2-[1-(5-chloranyl-2-phenylmethoxy-phenyl)ethyl]-1,3-thiazole-4-carboxylate Openeye Name: sodium 2-[1-(2-benzyloxy-5-chloro-phenyl)ethyl]thiazole-4-carboxylate CAS Name: sodium 2-[1-(5-chloro-2-phenylmethoxyphenyl)ethyl]-4-thiazolecarboxylate IUPAC Name: sodium 2-[1-(5-chloro-2-phenylmethoxyphenyl)ethyl]-1,3-thiazole-4-carboxylate Traditional Name: sodium 2-[1-(2-benzoxy-5-chloro-phenyl)ethyl]thiazole-4-carboxylate Formula: C19H15ClNNaO3S MolecularWeight: 395.83507

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=C(C=CC(=C1)Cl)OCC2=CC=CC=C2)C3=NC(=CS3)C(=O)[O-].[Na+]

Isomeric SMILES

CC(C1=C(C=CC(=C1)Cl)OCC2=CC=CC=C2)C3=NC(=CS3)C(=O)[O-].[Na+]

InChI

InChI=1S/C19H16ClNO3S.Na/c1-12(18-21-16(11-25-18)19(22)23)15-9-14(20)7-8-17(15)24-10-13-5-3-2-4-6-13;/h2-9,11-12H,10H2,1H3,(H,22,23);/q;+1/p-1