methyl 3-(4-methylsulfanylphenyl)-1,2-oxazole-4-carboxylate

Systemtic Name: methyl 3-(4-methylsulfanylphenyl)-1,2-oxazole-4-carboxylate Openeye Name: methyl 3-(4-methylsulfanylphenyl)isoxazole-4-carboxylate CAS Name: 3-[4-(methylthio)phenyl]-4-isoxazolecarboxylic acid methyl ester IUPAC Name: methyl 3-(4-methylsulfanylphenyl)-1,2-oxazole-4-carboxylate Traditional Name: 3-[4-(methylthio)phenyl]isoxazole-4-carboxylic acid methyl ester Formula: C12H11NO3S MolecularWeight: 249.28564

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CON=C1C2=CC=C(C=C2)SC

Isomeric SMILES

COC(=O)C1=CON=C1C2=CC=C(C=C2)SC

InChI

InChI=1S/C12H11NO3S/c1-15-12(14)10-7-16-13-11(10)8-3-5-9(17-2)6-4-8/h3-7H,1-2H3