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

Systemtic Name: 1-[3-[5-(1,3-benzodioxol-5-ylmethylidene)-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoyl]piperidine-4-carboxylic acid Openeye Name: 1-[3-[5-(1,3-benzodioxol-5-ylmethylene)-4-oxo-2-thioxo-thiazolidin-3-yl]propanoyl]piperidine-4-carboxylic acid CAS Name: 1-[3-[5-(1,3-benzodioxol-5-ylmethylidene)-4-oxo-2-sulfanylidene-3-thiazolidinyl]-1-oxopropyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[3-[5-(1,3-benzodioxol-5-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoyl]piperidine-4-carboxylic acid Traditional Name: 1-[3-(4-keto-5-piperonylidene-2-thioxo-thiazolidin-3-yl)propanoyl]isonipecotic acid Formula: C20H20N2O6S2 MolecularWeight: 448.5126

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C(=O)CCN2C(=O)C(=CC3=CC4=C(C=C3)OCO4)SC2=S

Isomeric SMILES

C1CN(CCC1C(=O)O)C(=O)CCN2C(=O)C(=CC3=CC4=C(C=C3)OCO4)SC2=S

InChI

InChI=1S/C20H20N2O6S2/c23-17(21-6-3-13(4-7-21)19(25)26)5-8-22-18(24)16(30-20(22)29)10-12-1-2-14-15(9-12)28-11-27-14/h1-2,9-10,13H,3-8,11H2,(H,25,26)