2-[(5E)-5-[(6-bromanyl-1,3-benzodioxol-5-yl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanoic acid

Systemtic Name: 2-[(5E)-5-[(6-bromanyl-1,3-benzodioxol-5-yl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanoic acid Openeye Name: 2-[(5E)-5-[(6-bromo-1,3-benzodioxol-5-yl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]acetic acid CAS Name: 2-[(5E)-5-[(6-bromo-1,3-benzodioxol-5-yl)methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]acetic acid IUPAC Name: 2-[(5E)-5-[(6-bromo-1,3-benzodioxol-5-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid Traditional Name: 2-[(5E)-5-[(6-bromo-1,3-benzodioxol-5-yl)methylene]-4-keto-2-thioxo-thiazolidin-3-yl]acetic acid Formula: C13H8BrNO5S2 MolecularWeight: 402.24032

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)/C=C/3\C(=O)N(C(=S)S3)CC(=O)O)Br

InChI

InChI=1S/C13H8BrNO5S2/c14-7-3-9-8(19-5-20-9)1-6(7)2-10-12(18)15(4-11(16)17)13(21)22-10/h1-3H,4-5H2,(H,16,17)/b10-2+