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

Systemtic Name: sodium 2-[[5-chloranyl-2-(2-methylpropoxy)phenyl]methyl]-1,3-thiazole-4-carboxylate Openeye Name: sodium 2-[(5-chloro-2-isobutoxy-phenyl)methyl]thiazole-4-carboxylate CAS Name: sodium 2-[[5-chloro-2-(2-methylpropoxy)phenyl]methyl]-4-thiazolecarboxylate IUPAC Name: sodium 2-[[5-chloro-2-(2-methylpropoxy)phenyl]methyl]-1,3-thiazole-4-carboxylate Traditional Name: sodium 2-(5-chloro-2-isobutoxy-benzyl)thiazole-4-carboxylate Formula: C15H15ClNNaO3S MolecularWeight: 347.79227

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=C(C=C(C=C1)Cl)CC2=NC(=CS2)C(=O)[O-].[Na+]

Isomeric SMILES

CC(C)COC1=C(C=C(C=C1)Cl)CC2=NC(=CS2)C(=O)[O-].[Na+]

InChI

InChI=1S/C15H16ClNO3S.Na/c1-9(2)7-20-13-4-3-11(16)5-10(13)6-14-17-12(8-21-14)15(18)19;/h3-5,8-9H,6-7H2,1-2H3,(H,18,19);/q;+1/p-1