1-(1,3-benzodioxol-5-ylmethyl)-5,6-dimethoxy-3-(3,4,5-trimethoxyphenyl)sulfanyl-indole-2-carboxylic acid

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-5,6-dimethoxy-3-(3,4,5-trimethoxyphenyl)sulfanyl-indole-2-carboxylic acid Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-5,6-dimethoxy-3-(3,4,5-trimethoxyphenyl)sulfanyl-indole-2-carboxylic acid CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-5,6-dimethoxy-3-[(3,4,5-trimethoxyphenyl)thio]-2-indolecarboxylic acid IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-5,6-dimethoxy-3-(3,4,5-trimethoxyphenyl)sulfanylindole-2-carboxylic acid Traditional Name: 5,6-dimethoxy-1-piperonyl-3-[(3,4,5-trimethoxyphenyl)thio]indole-2-carboxylic acid Formula: C28H27NO9S MolecularWeight: 553.58028

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)SC2=C(N(C3=CC(=C(C=C32)OC)OC)CC4=CC5=C(C=C4)OCO5)C(=O)O

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)SC2=C(N(C3=CC(=C(C=C32)OC)OC)CC4=CC5=C(C=C4)OCO5)C(=O)O

InChI

InChI=1S/C28H27NO9S/c1-32-20-11-17-18(12-21(20)33-2)29(13-15-6-7-19-22(8-15)38-14-37-19)25(28(30)31)27(17)39-16-9-23(34-3)26(36-5)24(10-16)35-4/h6-12H,13-14H2,1-5H3,(H,30,31)