methyl (4R)-3,3-dimethyl-6-oxidanylidene-1,2,5-dithiazocane-4-carboxylate

Systemtic Name: methyl (4R)-3,3-dimethyl-6-oxidanylidene-1,2,5-dithiazocane-4-carboxylate Openeye Name: methyl (4R)-3,3-dimethyl-6-oxo-1,2,5-dithiazocane-4-carboxylate CAS Name: (4R)-3,3-dimethyl-6-oxo-1,2,5-dithiazocane-4-carboxylic acid methyl ester IUPAC Name: methyl (4R)-3,3-dimethyl-6-oxo-1,2,5-dithiazocane-4-carboxylate Traditional Name: (4R)-6-keto-3,3-dimethyl-1,2,5-dithiazocane-4-carboxylic acid methyl ester Formula: C9H15NO3S2 MolecularWeight: 249.3503

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(C(NC(=O)CCSS1)C(=O)OC)C

Isomeric SMILES

CC1([C@H](NC(=O)CCSS1)C(=O)OC)C

InChI

InChI=1S/C9H15NO3S2/c1-9(2)7(8(12)13-3)10-6(11)4-5-14-15-9/h7H,4-5H2,1-3H3,(H,10,11)/t7-/m1/s1