5-[(3-chlorophenyl)sulfanylmethyl]-1,2-oxazole-3-carboxylic acid

Systemtic Name: 5-[(3-chlorophenyl)sulfanylmethyl]-1,2-oxazole-3-carboxylic acid Openeye Name: 5-[(3-chlorophenyl)sulfanylmethyl]isoxazole-3-carboxylic acid CAS Name: 5-[[(3-chlorophenyl)thio]methyl]-3-isoxazolecarboxylic acid IUPAC Name: 5-[(3-chlorophenyl)sulfanylmethyl]-1,2-oxazole-3-carboxylic acid Traditional Name: 5-[[(3-chlorophenyl)thio]methyl]isoxazole-3-carboxylic acid Formula: C11H8ClNO3S MolecularWeight: 269.70412

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Cl)SCC2=CC(=NO2)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)Cl)SCC2=CC(=NO2)C(=O)O

InChI

InChI=1S/C11H8ClNO3S/c12-7-2-1-3-9(4-7)17-6-8-5-10(11(14)15)13-16-8/h1-5H,6H2,(H,14,15)