1-(1,3-benzodioxol-5-ylmethyl)-3-(2,1,3-benzothiadiazol-5-yl)-5,6-dimethoxy-indole-2-carboxylic acid

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(2,1,3-benzothiadiazol-5-yl)-5,6-dimethoxy-indole-2-carboxylic acid Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(2,1,3-benzothiadiazol-5-yl)-5,6-dimethoxy-indole-2-carboxylic acid CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(2,1,3-benzothiadiazol-5-yl)-5,6-dimethoxy-2-indolecarboxylic acid IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(2,1,3-benzothiadiazol-5-yl)-5,6-dimethoxyindole-2-carboxylic acid Traditional Name: 5,6-dimethoxy-3-piazthiol-5-yl-1-piperonyl-indole-2-carboxylic acid Formula: C25H19N3O6S MolecularWeight: 489.49986

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=C(N2CC3=CC4=C(C=C3)OCO4)C(=O)O)C5=CC6=NSN=C6C=C5)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=C(N2CC3=CC4=C(C=C3)OCO4)C(=O)O)C5=CC6=NSN=C6C=C5)OC

InChI

InChI=1S/C25H19N3O6S/c1-31-20-9-15-18(10-21(20)32-2)28(11-13-3-6-19-22(7-13)34-12-33-19)24(25(29)30)23(15)14-4-5-16-17(8-14)27-35-26-16/h3-10H,11-12H2,1-2H3,(H,29,30)