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

Systemtic Name: 4-[(5E)-5-[(7-bromanyl-1,3-benzodioxol-5-yl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]benzoic acid Openeye Name: 4-[(5E)-5-[(7-bromo-1,3-benzodioxol-5-yl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]benzoic acid CAS Name: 4-[(5E)-5-[(7-bromo-1,3-benzodioxol-5-yl)methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]benzoic acid IUPAC Name: 4-[(5E)-5-[(7-bromo-1,3-benzodioxol-5-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzoic acid Traditional Name: 4-[(5E)-5-[(7-bromo-1,3-benzodioxol-5-yl)methylene]-4-keto-2-thioxo-thiazolidin-3-yl]benzoic acid Formula: C18H10BrNO5S2 MolecularWeight: 464.3097

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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=C(C=C4)C(=O)O)Br

Isomeric SMILES

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

InChI

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