1-(1,4-dithiin-2-ylmethyl)piperidine-3,5-dicarboxylic acid

Systemtic Name: 1-(1,4-dithiin-2-ylmethyl)piperidine-3,5-dicarboxylic acid Openeye Name: 1-(1,4-dithiin-2-ylmethyl)piperidine-3,5-dicarboxylic acid CAS Name: 1-(1,4-dithiin-2-ylmethyl)piperidine-3,5-dicarboxylic acid IUPAC Name: 1-(1,4-dithiin-2-ylmethyl)piperidine-3,5-dicarboxylic acid Traditional Name: 1-(1,4-dithiin-2-ylmethyl)piperidine-3,5-dicarboxylic acid Formula: C12H15NO4S2 MolecularWeight: 301.3818

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(CC1C(=O)O)CC2=CSC=CS2)C(=O)O

Isomeric SMILES

C1C(CN(CC1C(=O)O)CC2=CSC=CS2)C(=O)O

InChI

InChI=1S/C12H15NO4S2/c14-11(15)8-3-9(12(16)17)5-13(4-8)6-10-7-18-1-2-19-10/h1-2,7-9H,3-6H2,(H,14,15)(H,16,17)