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

Systemtic Name: 4-[(5E)-5-[(6-bromanyl-1,3-benzodioxol-5-yl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid Openeye Name: 4-[(5E)-5-[(6-bromo-1,3-benzodioxol-5-yl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]butanoic acid CAS Name: 4-[(5E)-5-[(6-bromo-1,3-benzodioxol-5-yl)methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]butanoic acid IUPAC Name: 4-[(5E)-5-[(6-bromo-1,3-benzodioxol-5-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid Traditional Name: 4-[(5E)-5-[(6-bromo-1,3-benzodioxol-5-yl)methylene]-4-keto-2-thioxo-thiazolidin-3-yl]butyric acid Formula: C15H12BrNO5S2 MolecularWeight: 430.29348

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H12BrNO5S2/c16-9-6-11-10(21-7-22-11)4-8(9)5-12-14(20)17(15(23)24-12)3-1-2-13(18)19/h4-6H,1-3,7H2,(H,18,19)/b12-5+