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

Systemtic Name: methyl (2S)-2-[1,1-bis(oxidanylidene)-1,4-thiazinan-4-ium-4-yl]-3-phenyl-propanoate Openeye Name: methyl (2S)-2-(1,1-dioxo-1,4-thiazinan-4-ium-4-yl)-3-phenyl-propanoate CAS Name: (2S)-2-(1,1-dioxo-1,4-thiazinan-4-ium-4-yl)-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-2-(1,1-dioxo-1,4-thiazinan-4-ium-4-yl)-3-phenylpropanoate Traditional Name: (2S)-2-(1,1-diketo-1,4-thiazinan-4-ium-4-yl)-3-phenyl-propionic acid methyl ester Formula: C14H20NO4S+ MolecularWeight: 298.3779

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC=C1)[NH+]2CCS(=O)(=O)CC2

Isomeric SMILES

COC(=O)[C@H](CC1=CC=CC=C1)[NH+]2CCS(=O)(=O)CC2

InChI

InChI=1S/C14H19NO4S/c1-19-14(16)13(11-12-5-3-2-4-6-12)15-7-9-20(17,18)10-8-15/h2-6,13H,7-11H2,1H3/p+1/t13-/m0/s1