4-[(2-chloranyl-4-cyano-phenoxy)methyl]-1,3-thiazole-2-carboxylic acid

Systemtic Name: 4-[(2-chloranyl-4-cyano-phenoxy)methyl]-1,3-thiazole-2-carboxylic acid Openeye Name: 4-[(2-chloro-4-cyano-phenoxy)methyl]thiazole-2-carboxylic acid CAS Name: 4-[(2-chloro-4-cyanophenoxy)methyl]-2-thiazolecarboxylic acid IUPAC Name: 4-[(2-chloro-4-cyanophenoxy)methyl]-1,3-thiazole-2-carboxylic acid Traditional Name: 4-[(2-chloro-4-cyano-phenoxy)methyl]thiazole-2-carboxylic acid Formula: C12H7ClN2O3S MolecularWeight: 294.71358

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C#N)Cl)OCC2=CSC(=N2)C(=O)O

Isomeric SMILES

C1=CC(=C(C=C1C#N)Cl)OCC2=CSC(=N2)C(=O)O

InChI

InChI=1S/C12H7ClN2O3S/c13-9-3-7(4-14)1-2-10(9)18-5-8-6-19-11(15-8)12(16)17/h1-3,6H,5H2,(H,16,17)