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

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(1,3-benzodioxol-5-ylsulfanyl)indole-2-carboxylic acid Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(1,3-benzodioxol-5-ylsulfanyl)indole-2-carboxylic acid CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(1,3-benzodioxol-5-ylthio)-2-indolecarboxylic acid IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(1,3-benzodioxol-5-ylsulfanyl)indole-2-carboxylic acid Traditional Name: 3-(1,3-benzodioxol-5-ylthio)-1-piperonyl-indole-2-carboxylic acid Formula: C24H17NO6S MolecularWeight: 447.45988

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CN3C4=CC=CC=C4C(=C3C(=O)O)SC5=CC6=C(C=C5)OCO6

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CN3C4=CC=CC=C4C(=C3C(=O)O)SC5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C24H17NO6S/c26-24(27)22-23(32-15-6-8-19-21(10-15)31-13-29-19)16-3-1-2-4-17(16)25(22)11-14-5-7-18-20(9-14)30-12-28-18/h1-10H,11-13H2,(H,26,27)