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

Systemtic Name: 6-[(5E)-5-[(6-bromanyl-1,3-benzodioxol-5-yl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid Openeye Name: 6-[(5E)-5-[(6-bromo-1,3-benzodioxol-5-yl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]hexanoic acid CAS Name: 6-[(5E)-5-[(6-bromo-1,3-benzodioxol-5-yl)methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]hexanoic acid IUPAC Name: 6-[(5E)-5-[(6-bromo-1,3-benzodioxol-5-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid Traditional Name: 6-[(5E)-5-[(6-bromo-1,3-benzodioxol-5-yl)methylene]-4-keto-2-thioxo-thiazolidin-3-yl]hexanoic acid Formula: C17H16BrNO5S2 MolecularWeight: 458.34664

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16BrNO5S2/c18-11-8-13-12(23-9-24-13)6-10(11)7-14-16(22)19(17(25)26-14)5-3-1-2-4-15(20)21/h6-8H,1-5,9H2,(H,20,21)/b14-7+