2-[(3-chlorophenyl)methyl]-1,3-thiazole-4-carboxylic acid

Systemtic Name: 2-[(3-chlorophenyl)methyl]-1,3-thiazole-4-carboxylic acid Openeye Name: 2-[(3-chlorophenyl)methyl]thiazole-4-carboxylic acid CAS Name: 2-[(3-chlorophenyl)methyl]-4-thiazolecarboxylic acid IUPAC Name: 2-[(3-chlorophenyl)methyl]-1,3-thiazole-4-carboxylic acid Traditional Name: 2-(3-chlorobenzyl)thiazole-4-carboxylic acid Formula: C11H8ClNO2S MolecularWeight: 253.70472

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Cl)CC2=NC(=CS2)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)Cl)CC2=NC(=CS2)C(=O)O

InChI

InChI=1S/C11H8ClNO2S/c12-8-3-1-2-7(4-8)5-10-13-9(6-16-10)11(14)15/h1-4,6H,5H2,(H,14,15)