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

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(1,3-benzodioxol-5-ylsulfanyl)-5,6-dimethoxy-indole-2-carboxylic acid Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(1,3-benzodioxol-5-ylsulfanyl)-5,6-dimethoxy-indole-2-carboxylic acid CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(1,3-benzodioxol-5-ylthio)-5,6-dimethoxy-2-indolecarboxylic acid IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(1,3-benzodioxol-5-ylsulfanyl)-5,6-dimethoxyindole-2-carboxylic acid Traditional Name: 3-(1,3-benzodioxol-5-ylthio)-5,6-dimethoxy-1-piperonyl-indole-2-carboxylic acid Formula: C26H21NO8S MolecularWeight: 507.51184

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=C(N2CC3=CC4=C(C=C3)OCO4)C(=O)O)SC5=CC6=C(C=C5)OCO6)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=C(N2CC3=CC4=C(C=C3)OCO4)C(=O)O)SC5=CC6=C(C=C5)OCO6)OC

InChI

InChI=1S/C26H21NO8S/c1-30-20-9-16-17(10-21(20)31-2)27(11-14-3-5-18-22(7-14)34-12-32-18)24(26(28)29)25(16)36-15-4-6-19-23(8-15)35-13-33-19/h3-10H,11-13H2,1-2H3,(H,28,29)