2-[[5-chloranyl-2-[(2-chloranyl-4-fluoranyl-phenyl)methoxy]phenyl]methyl]-1,3-thiazole-4-carboxylic acid

Systemtic Name: 2-[[5-chloranyl-2-[(2-chloranyl-4-fluoranyl-phenyl)methoxy]phenyl]methyl]-1,3-thiazole-4-carboxylic acid Openeye Name: 2-[[5-chloro-2-[(2-chloro-4-fluoro-phenyl)methoxy]phenyl]methyl]thiazole-4-carboxylic acid CAS Name: 2-[[5-chloro-2-[(2-chloro-4-fluorophenyl)methoxy]phenyl]methyl]-4-thiazolecarboxylic acid IUPAC Name: 2-[[5-chloro-2-[(2-chloro-4-fluorophenyl)methoxy]phenyl]methyl]-1,3-thiazole-4-carboxylic acid Traditional Name: 2-[5-chloro-2-(2-chloro-4-fluoro-benzyl)oxy-benzyl]thiazole-4-carboxylic acid Formula: C18H12Cl2FNO3S MolecularWeight: 412.262183

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1F)Cl)COC2=C(C=C(C=C2)Cl)CC3=NC(=CS3)C(=O)O

Isomeric SMILES

C1=CC(=C(C=C1F)Cl)COC2=C(C=C(C=C2)Cl)CC3=NC(=CS3)C(=O)O

InChI

InChI=1S/C18H12Cl2FNO3S/c19-12-2-4-16(25-8-10-1-3-13(21)7-14(10)20)11(5-12)6-17-22-15(9-26-17)18(23)24/h1-5,7,9H,6,8H2,(H,23,24)