methyl 2-[[(1S,5R)-6,6-dimethyl-4-bicyclo[3.1.1]hept-3-enyl]methylsulfanyl]-3-oxidanylidene-butanoate

Systemtic Name: methyl 2-[[(1S,5R)-6,6-dimethyl-4-bicyclo[3.1.1]hept-3-enyl]methylsulfanyl]-3-oxidanylidene-butanoate Openeye Name: methyl 2-[[(1S,5R)-6,6-dimethyl-4-bicyclo[3.1.1]hept-3-enyl]methylsulfanyl]-3-oxo-butanoate CAS Name: 2-[[(1S,5R)-6,6-dimethyl-4-bicyclo[3.1.1]hept-3-enyl]methylthio]-3-oxobutanoic acid methyl ester IUPAC Name: methyl 2-[[(1S,5R)-6,6-dimethyl-4-bicyclo[3.1.1]hept-3-enyl]methylsulfanyl]-3-oxobutanoate Traditional Name: 2-[[(1S,5R)-6,6-dimethyl-4-bicyclo[3.1.1]hept-3-enyl]methylthio]-3-keto-butyric acid methyl ester Formula: C15H22O3S MolecularWeight: 282.39838

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(C(=O)OC)SCC1=CCC2CC1C2(C)C

Isomeric SMILES

CC(=O)C(C(=O)OC)SCC1=CC[C@H]2C[C@@H]1C2(C)C

InChI

InChI=1S/C15H22O3S/c1-9(16)13(14(17)18-4)19-8-10-5-6-11-7-12(10)15(11,2)3/h5,11-13H,6-8H2,1-4H3/t11-,12-,13?/m0/s1