methyl 5-methylsulfanyl-2-(2-oxidanylideneoxolan-3-yl)oxy-benzoate

Systemtic Name: methyl 5-methylsulfanyl-2-(2-oxidanylideneoxolan-3-yl)oxy-benzoate Openeye Name: methyl 5-methylsulfanyl-2-(2-oxotetrahydrofuran-3-yl)oxy-benzoate CAS Name: 5-(methylthio)-2-[(2-oxo-3-oxolanyl)oxy]benzoic acid methyl ester IUPAC Name: methyl 5-methylsulfanyl-2-(2-oxooxolan-3-yl)oxybenzoate Traditional Name: 2-(2-ketotetrahydrofuran-3-yl)oxy-5-(methylthio)benzoic acid methyl ester Formula: C13H14O5S MolecularWeight: 282.31226

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC(=C1)SC)OC2CCOC2=O

Isomeric SMILES

COC(=O)C1=C(C=CC(=C1)SC)OC2CCOC2=O

InChI

InChI=1S/C13H14O5S/c1-16-12(14)9-7-8(19-2)3-4-10(9)18-11-5-6-17-13(11)15/h3-4,7,11H,5-6H2,1-2H3