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

Systemtic Name: 4-[(5E)-5-[(3-bromanyl-4-oxidanyl-phenyl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid Openeye Name: 4-[(5E)-5-[(3-bromo-4-hydroxy-phenyl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]butanoic acid CAS Name: 4-[(5E)-5-[(3-bromo-4-hydroxyphenyl)methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]butanoic acid IUPAC Name: 4-[(5E)-5-[(3-bromo-4-hydroxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid Traditional Name: 4-[(5E)-5-(3-bromo-4-hydroxy-benzylidene)-4-keto-2-thioxo-thiazolidin-3-yl]butyric acid Formula: C14H12BrNO4S2 MolecularWeight: 402.28338

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C=C2C(=O)N(C(=S)S2)CCCC(=O)O)Br)O

Isomeric SMILES

C1=CC(=C(C=C1/C=C/2\C(=O)N(C(=S)S2)CCCC(=O)O)Br)O

InChI

InChI=1S/C14H12BrNO4S2/c15-9-6-8(3-4-10(9)17)7-11-13(20)16(14(21)22-11)5-1-2-12(18)19/h3-4,6-7,17H,1-2,5H2,(H,18,19)/b11-7+