4-[(5E)-5-(1,3-benzodioxol-5-ylmethylidene)-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]-2-oxidanyl-benzoic acid

Systemtic Name: 4-[(5E)-5-(1,3-benzodioxol-5-ylmethylidene)-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]-2-oxidanyl-benzoic acid Openeye Name: 4-[(5E)-5-(1,3-benzodioxol-5-ylmethylene)-4-oxo-2-thioxo-thiazolidin-3-yl]-2-hydroxy-benzoic acid CAS Name: 4-[(5E)-5-(1,3-benzodioxol-5-ylmethylidene)-4-oxo-2-sulfanylidene-3-thiazolidinyl]-2-hydroxybenzoic acid IUPAC Name: 4-[(5E)-5-(1,3-benzodioxol-5-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-2-hydroxybenzoic acid Traditional Name: 2-hydroxy-4-[(5E)-4-keto-5-piperonylidene-2-thioxo-thiazolidin-3-yl]benzoic acid Formula: C18H11NO6S2 MolecularWeight: 401.41304

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C=C3C(=O)N(C(=S)S3)C4=CC(=C(C=C4)C(=O)O)O

Isomeric SMILES

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

InChI

InChI=1S/C18H11NO6S2/c20-12-7-10(2-3-11(12)17(22)23)19-16(21)15(27-18(19)26)6-9-1-4-13-14(5-9)25-8-24-13/h1-7,20H,8H2,(H,22,23)/b15-6+