ethyl (1R,5S,7S)-8-methyl-5-methylsulfanyl-4-oxidanylidene-8-azoniabicyclo[3.2.1]oct-2-ene-7-carboxylate

Systemtic Name: ethyl (1R,5S,7S)-8-methyl-5-methylsulfanyl-4-oxidanylidene-8-azoniabicyclo[3.2.1]oct-2-ene-7-carboxylate Openeye Name: ethyl (1R,5S,7S)-8-methyl-5-methylsulfanyl-4-oxo-8-azoniabicyclo[3.2.1]oct-2-ene-7-carboxylate CAS Name: (1R,5S,7S)-8-methyl-5-(methylthio)-4-oxo-8-azoniabicyclo[3.2.1]oct-2-ene-7-carboxylic acid ethyl ester IUPAC Name: ethyl (1R,5S,7S)-8-methyl-5-methylsulfanyl-4-oxo-8-azoniabicyclo[3.2.1]oct-2-ene-7-carboxylate Traditional Name: (1R,5S,7S)-4-keto-8-methyl-5-(methylthio)-8-azoniabicyclo[3.2.1]oct-2-ene-7-carboxylic acid ethyl ester Formula: C12H18NO3S+ MolecularWeight: 256.34122

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC2(C(=O)C=CC1[NH+]2C)SC

Isomeric SMILES

CCOC(=O)[C@H]1C[C@@]2(C(=O)C=C[C@H]1[NH+]2C)SC

InChI

InChI=1S/C12H17NO3S/c1-4-16-11(15)8-7-12(17-3)10(14)6-5-9(8)13(12)2/h5-6,8-9H,4,7H2,1-3H3/p+1/t8-,9+,12-/m0/s1