5-[(4-methylphenyl)sulfanylmethyl]-1,2-oxazole-3-carboxylic acid

Systemtic Name: 5-[(4-methylphenyl)sulfanylmethyl]-1,2-oxazole-3-carboxylic acid Openeye Name: 5-(p-tolylsulfanylmethyl)isoxazole-3-carboxylic acid CAS Name: 5-[[(4-methylphenyl)thio]methyl]-3-isoxazolecarboxylic acid IUPAC Name: 5-[(4-methylphenyl)sulfanylmethyl]-1,2-oxazole-3-carboxylic acid Traditional Name: 5-[(p-tolylthio)methyl]isoxazole-3-carboxylic acid Formula: C12H11NO3S MolecularWeight: 249.28564

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCC2=CC(=NO2)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)SCC2=CC(=NO2)C(=O)O

InChI

InChI=1S/C12H11NO3S/c1-8-2-4-10(5-3-8)17-7-9-6-11(12(14)15)13-16-9/h2-6H,7H2,1H3,(H,14,15)