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

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-1-(2,1,3-benzothiadiazol-5-ylmethyl)-5-propoxy-indole-2-carboxylic acid Openeye Name: 3-(1,3-benzodioxol-5-yl)-1-(2,1,3-benzothiadiazol-5-ylmethyl)-5-propoxy-indole-2-carboxylic acid CAS Name: 3-(1,3-benzodioxol-5-yl)-1-(2,1,3-benzothiadiazol-5-ylmethyl)-5-propoxy-2-indolecarboxylic acid IUPAC Name: 3-(1,3-benzodioxol-5-yl)-1-(2,1,3-benzothiadiazol-5-ylmethyl)-5-propoxyindole-2-carboxylic acid Traditional Name: 3-(1,3-benzodioxol-5-yl)-1-(piazthiol-5-ylmethyl)-5-propoxy-indole-2-carboxylic acid Formula: C26H21N3O5S MolecularWeight: 487.52704

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC2=C(C=C1)N(C(=C2C3=CC4=C(C=C3)OCO4)C(=O)O)CC5=CC6=NSN=C6C=C5

Isomeric SMILES

CCCOC1=CC2=C(C=C1)N(C(=C2C3=CC4=C(C=C3)OCO4)C(=O)O)CC5=CC6=NSN=C6C=C5

InChI

InChI=1S/C26H21N3O5S/c1-2-9-32-17-5-7-21-18(12-17)24(16-4-8-22-23(11-16)34-14-33-22)25(26(30)31)29(21)13-15-3-6-19-20(10-15)28-35-27-19/h3-8,10-12H,2,9,13-14H2,1H3,(H,30,31)