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

Systemtic Name: 2-[(5E)-5-(1,3-benzodioxol-5-ylmethylidene)-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanesulfonic acid Openeye Name: 2-[(5E)-5-(1,3-benzodioxol-5-ylmethylene)-4-oxo-2-thioxo-thiazolidin-3-yl]ethanesulfonic acid CAS Name: 2-[(5E)-5-(1,3-benzodioxol-5-ylmethylidene)-4-oxo-2-sulfanylidene-3-thiazolidinyl]ethanesulfonic acid IUPAC Name: 2-[(5E)-5-(1,3-benzodioxol-5-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanesulfonic acid Traditional Name: 2-[(5E)-4-keto-5-piperonylidene-2-thioxo-thiazolidin-3-yl]ethanesulfonic acid Formula: C13H11NO6S3 MolecularWeight: 373.42454

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H11NO6S3/c15-12-11(22-13(21)14(12)3-4-23(16,17)18)6-8-1-2-9-10(5-8)20-7-19-9/h1-2,5-6H,3-4,7H2,(H,16,17,18)/b11-6+