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

Systemtic Name: 3-[5-(1,3-benzodioxol-5-ylmethylidene)-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid Openeye Name: 3-[5-(1,3-benzodioxol-5-ylmethylene)-4-oxo-2-thioxo-thiazolidin-3-yl]propanoic acid CAS Name: 3-[5-(1,3-benzodioxol-5-ylmethylidene)-4-oxo-2-sulfanylidene-3-thiazolidinyl]propanoic acid IUPAC Name: 3-[5-(1,3-benzodioxol-5-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid Traditional Name: 3-(4-keto-5-piperonylidene-2-thioxo-thiazolidin-3-yl)propionic acid Formula: C14H11NO5S2 MolecularWeight: 337.37084

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C=C3C(=O)N(C(=S)S3)CCC(=O)O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C=C3C(=O)N(C(=S)S3)CCC(=O)O

InChI

InChI=1S/C14H11NO5S2/c16-12(17)3-4-15-13(18)11(22-14(15)21)6-8-1-2-9-10(5-8)20-7-19-9/h1-2,5-6H,3-4,7H2,(H,16,17)