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

Systemtic Name: 5-[(2-propan-2-ylphenyl)sulfanylmethyl]-1,2-oxazole-3-carboxylic acid Openeye Name: 5-[(2-isopropylphenyl)sulfanylmethyl]isoxazole-3-carboxylic acid CAS Name: 5-[[(2-propan-2-ylphenyl)thio]methyl]-3-isoxazolecarboxylic acid IUPAC Name: 5-[(2-propan-2-ylphenyl)sulfanylmethyl]-1,2-oxazole-3-carboxylic acid Traditional Name: 5-[(o-cumenylthio)methyl]isoxazole-3-carboxylic acid Formula: C14H15NO3S MolecularWeight: 277.3388

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1SCC2=CC(=NO2)C(=O)O

Isomeric SMILES

CC(C)C1=CC=CC=C1SCC2=CC(=NO2)C(=O)O

InChI

InChI=1S/C14H15NO3S/c1-9(2)11-5-3-4-6-13(11)19-8-10-7-12(14(16)17)15-18-10/h3-7,9H,8H2,1-2H3,(H,16,17)