5-[(2,4,6-trimethylphenyl)sulfanylmethyl]-1,2-oxazole-3-carboxylic acid

Systemtic Name: 5-[(2,4,6-trimethylphenyl)sulfanylmethyl]-1,2-oxazole-3-carboxylic acid Openeye Name: 5-[(2,4,6-trimethylphenyl)sulfanylmethyl]isoxazole-3-carboxylic acid CAS Name: 5-[[(2,4,6-trimethylphenyl)thio]methyl]-3-isoxazolecarboxylic acid IUPAC Name: 5-[(2,4,6-trimethylphenyl)sulfanylmethyl]-1,2-oxazole-3-carboxylic acid Traditional Name: 5-[(mesitylthio)methyl]isoxazole-3-carboxylic acid Formula: C14H15NO3S MolecularWeight: 277.3388

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15NO3S/c1-8-4-9(2)13(10(3)5-8)19-7-11-6-12(14(16)17)15-18-11/h4-6H,7H2,1-3H3,(H,16,17)