(4-oxidanylidene-2-bicyclo[3.2.1]oct-2-enyl) 2-methoxy-4-methylsulfanyl-benzoate

Systemtic Name: (4-oxidanylidene-2-bicyclo[3.2.1]oct-2-enyl) 2-methoxy-4-methylsulfanyl-benzoate Openeye Name: (4-oxo-2-bicyclo[3.2.1]oct-2-enyl) 2-methoxy-4-methylsulfanyl-benzoate CAS Name: 2-methoxy-4-(methylthio)benzoic acid (4-oxo-2-bicyclo[3.2.1]oct-2-enyl) ester IUPAC Name: (4-oxo-2-bicyclo[3.2.1]oct-2-enyl) 2-methoxy-4-methylsulfanylbenzoate Traditional Name: 2-methoxy-4-(methylthio)benzoic acid (4-keto-2-bicyclo[3.2.1]oct-2-enyl) ester Formula: C17H18O4S MolecularWeight: 318.38742

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)SC)C(=O)OC2=CC(=O)C3CCC2C3

Isomeric SMILES

COC1=C(C=CC(=C1)SC)C(=O)OC2=CC(=O)C3CCC2C3

InChI

InChI=1S/C17H18O4S/c1-20-16-8-12(22-2)5-6-13(16)17(19)21-15-9-14(18)10-3-4-11(15)7-10/h5-6,8-11H,3-4,7H2,1-2H3