methyl (1S,4R,5S)-2-methylsulfanyl-7-oxabicyclo[2.2.1]hept-2-ene-5-carboxylate

Systemtic Name: methyl (1S,4R,5S)-2-methylsulfanyl-7-oxabicyclo[2.2.1]hept-2-ene-5-carboxylate Openeye Name: methyl (1S,4R,5S)-2-methylsulfanyl-7-oxabicyclo[2.2.1]hept-2-ene-5-carboxylate CAS Name: (1S,4R,5S)-2-(methylthio)-7-oxabicyclo[2.2.1]hept-2-ene-5-carboxylic acid methyl ester IUPAC Name: methyl (1S,4R,5S)-2-methylsulfanyl-7-oxabicyclo[2.2.1]hept-2-ene-5-carboxylate Traditional Name: (1S,4R,5S)-2-(methylthio)-7-oxabicyclo[2.2.1]hept-2-ene-5-carboxylic acid methyl ester Formula: C9H12O3S MolecularWeight: 200.25478

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC2C(=CC1O2)SC

Isomeric SMILES

COC(=O)[C@H]1C[C@H]2C(=C[C@@H]1O2)SC

InChI

InChI=1S/C9H12O3S/c1-11-9(10)5-3-7-8(13-2)4-6(5)12-7/h4-7H,3H2,1-2H3/t5-,6-,7-/m0/s1