3-[(5E)-5-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]benzoic acid

Systemtic Name: 3-[(5E)-5-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]benzoic acid Openeye Name: 3-[(5E)-5-(2,3-dihydro-1,4-benzodioxin-6-ylmethylene)-4-oxo-2-thioxo-thiazolidin-3-yl]benzoic acid CAS Name: 3-[(5E)-5-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-4-oxo-2-sulfanylidene-3-thiazolidinyl]benzoic acid IUPAC Name: 3-[(5E)-5-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzoic acid Traditional Name: 3-[(5E)-5-(2,3-dihydro-1,4-benzodioxin-6-ylmethylene)-4-keto-2-thioxo-thiazolidin-3-yl]benzoic acid Formula: C19H13NO5S2 MolecularWeight: 399.44022

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)C=C3C(=O)N(C(=S)S3)C4=CC=CC(=C4)C(=O)O

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)/C=C/3\C(=O)N(C(=S)S3)C4=CC=CC(=C4)C(=O)O

InChI

InChI=1S/C19H13NO5S2/c21-17-16(9-11-4-5-14-15(8-11)25-7-6-24-14)27-19(26)20(17)13-3-1-2-12(10-13)18(22)23/h1-5,8-10H,6-7H2,(H,22,23)/b16-9+