(2S)-2-[1,1-bis(oxidanylidene)-1,4-thiazinan-4-ium-4-yl]-3-cyclohexyl-propanoate

Systemtic Name: (2S)-2-[1,1-bis(oxidanylidene)-1,4-thiazinan-4-ium-4-yl]-3-cyclohexyl-propanoate Openeye Name: (2S)-3-cyclohexyl-2-(1,1-dioxo-1,4-thiazinan-4-ium-4-yl)propanoate CAS Name: (2S)-3-cyclohexyl-2-(1,1-dioxo-1,4-thiazinan-4-ium-4-yl)propanoate IUPAC Name: (2S)-3-cyclohexyl-2-(1,1-dioxo-1,4-thiazinan-4-ium-4-yl)propanoate Traditional Name: (2S)-3-cyclohexyl-2-(1,1-diketo-1,4-thiazinan-4-ium-4-yl)propionate Formula: C13H23NO4S MolecularWeight: 289.39102

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CC(C(=O)[O-])[NH+]2CCS(=O)(=O)CC2

Isomeric SMILES

C1CCC(CC1)C[C@@H](C(=O)[O-])[NH+]2CCS(=O)(=O)CC2

InChI

InChI=1S/C13H23NO4S/c15-13(16)12(10-11-4-2-1-3-5-11)14-6-8-19(17,18)9-7-14/h11-12H,1-10H2,(H,15,16)/t12-/m0/s1