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

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(1,3-benzodioxol-5-ylsulfanyl)-5-methoxy-6-phenylmethoxy-indole-2-carboxylic acid Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(1,3-benzodioxol-5-ylsulfanyl)-6-benzyloxy-5-methoxy-indole-2-carboxylic acid CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(1,3-benzodioxol-5-ylthio)-5-methoxy-6-phenylmethoxy-2-indolecarboxylic acid IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(1,3-benzodioxol-5-ylsulfanyl)-5-methoxy-6-phenylmethoxyindole-2-carboxylic acid Traditional Name: 3-(1,3-benzodioxol-5-ylthio)-6-benzoxy-5-methoxy-1-piperonyl-indole-2-carboxylic acid Formula: C32H25NO8S MolecularWeight: 583.6078

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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)SC5=CC6=C(C=C5)OCO6)OCC7=CC=CC=C7

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=C(N2CC3=CC4=C(C=C3)OCO4)C(=O)O)SC5=CC6=C(C=C5)OCO6)OCC7=CC=CC=C7

InChI

InChI=1S/C32H25NO8S/c1-36-26-13-22-23(14-29(26)37-16-19-5-3-2-4-6-19)33(15-20-7-9-24-27(11-20)40-17-38-24)30(32(34)35)31(22)42-21-8-10-25-28(12-21)41-18-39-25/h2-14H,15-18H2,1H3,(H,34,35)