3-[[(5E)-5-(1,3-benzodioxol-5-ylmethylidene)-4-oxidanylidene-1,3-thiazol-2-yl]sulfamoyl]thiophene-2-carboxylic acid

Systemtic Name: 3-[[(5E)-5-(1,3-benzodioxol-5-ylmethylidene)-4-oxidanylidene-1,3-thiazol-2-yl]sulfamoyl]thiophene-2-carboxylic acid Openeye Name: 3-[[(5E)-5-(1,3-benzodioxol-5-ylmethylene)-4-oxo-thiazol-2-yl]sulfamoyl]thiophene-2-carboxylic acid CAS Name: 3-[[(5E)-5-(1,3-benzodioxol-5-ylmethylidene)-4-oxo-2-thiazolyl]sulfamoyl]-2-thiophenecarboxylic acid IUPAC Name: 3-[[(5E)-5-(1,3-benzodioxol-5-ylmethylidene)-4-oxo-1,3-thiazol-2-yl]sulfamoyl]thiophene-2-carboxylic acid Traditional Name: 3-[[(5E)-4-keto-5-piperonylidene-2-thiazolin-2-yl]sulfamoyl]-2-thenoic acid Formula: C16H10N2O7S3 MolecularWeight: 438.4548

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C=C3C(=O)N=C(S3)NS(=O)(=O)C4=C(SC=C4)C(=O)O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)/C=C/3\C(=O)N=C(S3)NS(=O)(=O)C4=C(SC=C4)C(=O)O

InChI

InChI=1S/C16H10N2O7S3/c19-14-11(6-8-1-2-9-10(5-8)25-7-24-9)27-16(17-14)18-28(22,23)12-3-4-26-13(12)15(20)21/h1-6H,7H2,(H,20,21)(H,17,18,19)/b11-6+