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

Systemtic Name: 5-[(3-methoxyphenyl)sulfanylmethyl]-1,2-oxazole-3-carboxylic acid Openeye Name: 5-[(3-methoxyphenyl)sulfanylmethyl]isoxazole-3-carboxylic acid CAS Name: 5-[[(3-methoxyphenyl)thio]methyl]-3-isoxazolecarboxylic acid IUPAC Name: 5-[(3-methoxyphenyl)sulfanylmethyl]-1,2-oxazole-3-carboxylic acid Traditional Name: 5-[[(3-methoxyphenyl)thio]methyl]isoxazole-3-carboxylic acid Formula: C12H11NO4S MolecularWeight: 265.28504

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC=C1)SCC2=CC(=NO2)C(=O)O

Isomeric SMILES

COC1=CC(=CC=C1)SCC2=CC(=NO2)C(=O)O

InChI

InChI=1S/C12H11NO4S/c1-16-8-3-2-4-10(5-8)18-7-9-6-11(12(14)15)13-17-9/h2-6H,7H2,1H3,(H,14,15)