1-[2-[5-(1,3-benzodioxol-5-ylmethylidene)-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanoyl]piperidine-2-carboxylic acid

Systemtic Name: 1-[2-[5-(1,3-benzodioxol-5-ylmethylidene)-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanoyl]piperidine-2-carboxylic acid Openeye Name: 1-[2-[5-(1,3-benzodioxol-5-ylmethylene)-4-oxo-2-thioxo-thiazolidin-3-yl]acetyl]piperidine-2-carboxylic acid CAS Name: 1-[2-[5-(1,3-benzodioxol-5-ylmethylidene)-4-oxo-2-sulfanylidene-3-thiazolidinyl]-1-oxoethyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[2-[5-(1,3-benzodioxol-5-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetyl]piperidine-2-carboxylic acid Traditional Name: 1-[2-(4-keto-5-piperonylidene-2-thioxo-thiazolidin-3-yl)acetyl]pipecolinic acid Formula: C19H18N2O6S2 MolecularWeight: 434.48602

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C(=O)O)C(=O)CN2C(=O)C(=CC3=CC4=C(C=C3)OCO4)SC2=S

Isomeric SMILES

C1CCN(C(C1)C(=O)O)C(=O)CN2C(=O)C(=CC3=CC4=C(C=C3)OCO4)SC2=S

InChI

InChI=1S/C19H18N2O6S2/c22-16(20-6-2-1-3-12(20)18(24)25)9-21-17(23)15(29-19(21)28)8-11-4-5-13-14(7-11)27-10-26-13/h4-5,7-8,12H,1-3,6,9-10H2,(H,24,25)