3-[(5E)-5-[(7-bromanyl-1,3-benzodioxol-5-yl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid

Systemtic Name: 3-[(5E)-5-[(7-bromanyl-1,3-benzodioxol-5-yl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid Openeye Name: 3-[(5E)-5-[(7-bromo-1,3-benzodioxol-5-yl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]propanoic acid CAS Name: 3-[(5E)-5-[(7-bromo-1,3-benzodioxol-5-yl)methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]propanoic acid IUPAC Name: 3-[(5E)-5-[(7-bromo-1,3-benzodioxol-5-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid Traditional Name: 3-[(5E)-5-[(7-bromo-1,3-benzodioxol-5-yl)methylene]-4-keto-2-thioxo-thiazolidin-3-yl]propionic acid Formula: C14H10BrNO5S2 MolecularWeight: 416.2669

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H10BrNO5S2/c15-8-3-7(4-9-12(8)21-6-20-9)5-10-13(19)16(14(22)23-10)2-1-11(17)18/h3-5H,1-2,6H2,(H,17,18)/b10-5+