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

Systemtic Name: 5-[(5E)-5-[(3-methoxy-4-oxidanyl-phenyl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]-2-oxidanyl-benzoic acid Openeye Name: 2-hydroxy-5-[(5E)-5-[(4-hydroxy-3-methoxy-phenyl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]benzoic acid CAS Name: 2-hydroxy-5-[(5E)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]benzoic acid IUPAC Name: 2-hydroxy-5-[(5E)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzoic acid Traditional Name: 2-hydroxy-5-[(5E)-4-keto-2-thioxo-5-vanillylidene-thiazolidin-3-yl]benzoic acid Formula: C18H13NO6S2 MolecularWeight: 403.42892

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=C2C(=O)N(C(=S)S2)C3=CC(=C(C=C3)O)C(=O)O)O

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C/2\C(=O)N(C(=S)S2)C3=CC(=C(C=C3)O)C(=O)O)O

InChI

InChI=1S/C18H13NO6S2/c1-25-14-6-9(2-4-13(14)21)7-15-16(22)19(18(26)27-15)10-3-5-12(20)11(8-10)17(23)24/h2-8,20-21H,1H3,(H,23,24)/b15-7+