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

Systemtic Name: 3-[(5E)-5-[(7-bromanyl-1,3-benzodioxol-5-yl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]benzoate Openeye Name: 3-[(5E)-5-[(7-bromo-1,3-benzodioxol-5-yl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]benzoate CAS Name: 3-[(5E)-5-[(7-bromo-1,3-benzodioxol-5-yl)methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]benzoate IUPAC Name: 3-[(5E)-5-[(7-bromo-1,3-benzodioxol-5-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzoate Traditional Name: 3-[(5E)-5-[(7-bromo-1,3-benzodioxol-5-yl)methylene]-4-keto-2-thioxo-thiazolidin-3-yl]benzoate Formula: C18H9BrNO5S2- MolecularWeight: 463.30176

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C(=CC(=C2)C=C3C(=O)N(C(=S)S3)C4=CC=CC(=C4)C(=O)[O-])Br

Isomeric SMILES

C1OC2=C(O1)C(=CC(=C2)/C=C/3\C(=O)N(C(=S)S3)C4=CC=CC(=C4)C(=O)[O-])Br

InChI

InChI=1S/C18H10BrNO5S2/c19-12-4-9(5-13-15(12)25-8-24-13)6-14-16(21)20(18(26)27-14)11-3-1-2-10(7-11)17(22)23/h1-7H,8H2,(H,22,23)/p-1/b14-6+