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

Systemtic Name: 5-[3-[5-(1,3-benzodioxol-5-ylmethylidene)-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoylamino]-2-oxidanyl-benzoic acid Openeye Name: 5-[3-[5-(1,3-benzodioxol-5-ylmethylene)-4-oxo-2-thioxo-thiazolidin-3-yl]propanoylamino]-2-hydroxy-benzoic acid CAS Name: 5-[[3-[5-(1,3-benzodioxol-5-ylmethylidene)-4-oxo-2-sulfanylidene-3-thiazolidinyl]-1-oxopropyl]amino]-2-hydroxybenzoic acid IUPAC Name: 5-[3-[5-(1,3-benzodioxol-5-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoylamino]-2-hydroxybenzoic acid Traditional Name: 2-hydroxy-5-[3-(4-keto-5-piperonylidene-2-thioxo-thiazolidin-3-yl)propanoylamino]benzoic acid Formula: C21H16N2O7S2 MolecularWeight: 472.49094

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C=C3C(=O)N(C(=S)S3)CCC(=O)NC4=CC(=C(C=C4)O)C(=O)O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C=C3C(=O)N(C(=S)S3)CCC(=O)NC4=CC(=C(C=C4)O)C(=O)O

InChI

InChI=1S/C21H16N2O7S2/c24-14-3-2-12(9-13(14)20(27)28)22-18(25)5-6-23-19(26)17(32-21(23)31)8-11-1-4-15-16(7-11)30-10-29-15/h1-4,7-9,24H,5-6,10H2,(H,22,25)(H,27,28)