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

Systemtic Name: 2-[5-[(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanesulfonic acid Openeye Name: 2-[5-[(3-bromo-4-hydroxy-5-methoxy-phenyl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]ethanesulfonic acid CAS Name: 2-[5-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]ethanesulfonic acid IUPAC Name: 2-[5-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanesulfonic acid Traditional Name: 2-[5-(3-bromo-4-hydroxy-5-methoxy-benzylidene)-4-keto-2-thioxo-thiazolidin-3-yl]ethanesulfonic acid Formula: C13H12BrNO6S3 MolecularWeight: 454.33648

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=C2C(=O)N(C(=S)S2)CCS(=O)(=O)O)Br)O

Isomeric SMILES

COC1=C(C(=CC(=C1)C=C2C(=O)N(C(=S)S2)CCS(=O)(=O)O)Br)O

InChI

InChI=1S/C13H12BrNO6S3/c1-21-9-5-7(4-8(14)11(9)16)6-10-12(17)15(13(22)23-10)2-3-24(18,19)20/h4-6,16H,2-3H2,1H3,(H,18,19,20)