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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C(=O)CN2C(=O)C(=CC3=CC4=C(C=C3)OCO4)SC2=S

Isomeric SMILES

C1CN(CCC1C(=O)O)C(=O)CN2C(=O)C(=CC3=CC4=C(C=C3)OCO4)SC2=S

InChI

InChI=1S/C19H18N2O6S2/c22-16(20-5-3-12(4-6-20)18(24)25)9-21-17(23)15(29-19(21)28)8-11-1-2-13-14(7-11)27-10-26-13/h1-2,7-8,12H,3-6,9-10H2,(H,24,25)