3-[4-[1,1-bis(oxidanylidene)thiolan-3-yl]carbonylpiperazin-1-yl]propanoic acid

Systemtic Name: 3-[4-[1,1-bis(oxidanylidene)thiolan-3-yl]carbonylpiperazin-1-yl]propanoic acid Openeye Name: 3-[4-(1,1-dioxothiolane-3-carbonyl)piperazin-1-yl]propanoic acid CAS Name: 3-[4-[(1,1-dioxo-3-thiolanyl)-oxomethyl]-1-piperazinyl]propanoic acid IUPAC Name: 3-[4-(1,1-dioxothiolane-3-carbonyl)piperazin-1-yl]propanoic acid Traditional Name: 3-[4-(1,1-diketothiolane-3-carbonyl)piperazino]propionic acid Formula: C12H20N2O5S MolecularWeight: 304.3626

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CS(=O)(=O)CC1C(=O)N2CCN(CC2)CCC(=O)O

Isomeric SMILES

C1CS(=O)(=O)CC1C(=O)N2CCN(CC2)CCC(=O)O

InChI

InChI=1S/C12H20N2O5S/c15-11(16)1-3-13-4-6-14(7-5-13)12(17)10-2-8-20(18,19)9-10/h10H,1-9H2,(H,15,16)