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

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-1-(2,1,3-benzothiadiazol-5-ylmethyl)-5,6-dimethoxy-indole-2-carboxylic acid Openeye Name: 3-(1,3-benzodioxol-5-yl)-1-(2,1,3-benzothiadiazol-5-ylmethyl)-5,6-dimethoxy-indole-2-carboxylic acid CAS Name: 3-(1,3-benzodioxol-5-yl)-1-(2,1,3-benzothiadiazol-5-ylmethyl)-5,6-dimethoxy-2-indolecarboxylic acid IUPAC Name: 3-(1,3-benzodioxol-5-yl)-1-(2,1,3-benzothiadiazol-5-ylmethyl)-5,6-dimethoxyindole-2-carboxylic acid Traditional Name: 3-(1,3-benzodioxol-5-yl)-5,6-dimethoxy-1-(piazthiol-5-ylmethyl)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=NSN=C4C=C3)C(=O)O)C5=CC6=C(C=C5)OCO6)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=C(N2CC3=CC4=NSN=C4C=C3)C(=O)O)C5=CC6=C(C=C5)OCO6)OC

InChI

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