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

Systemtic Name: 2-[(5E)-5-(1,3-benzodioxol-5-ylmethylidene)-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid Openeye Name: 2-[(5E)-5-(1,3-benzodioxol-5-ylmethylene)-4-oxo-2-thioxo-thiazolidin-3-yl]propanoic acid CAS Name: 2-[(5E)-5-(1,3-benzodioxol-5-ylmethylidene)-4-oxo-2-sulfanylidene-3-thiazolidinyl]propanoic acid IUPAC Name: 2-[(5E)-5-(1,3-benzodioxol-5-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid Traditional Name: 2-[(5E)-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:

CC(C(=O)O)N1C(=O)C(=CC2=CC3=C(C=C2)OCO3)SC1=S

Isomeric SMILES

CC(C(=O)O)N1C(=O)/C(=C\C2=CC3=C(C=C2)OCO3)/SC1=S

InChI

InChI=1S/C14H11NO5S2/c1-7(13(17)18)15-12(16)11(22-14(15)21)5-8-2-3-9-10(4-8)20-6-19-9/h2-5,7H,6H2,1H3,(H,17,18)/b11-5+