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

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-5-methoxy-6-phenylmethoxy-3-(3,4,5-trimethoxyphenyl)sulfanyl-indole-2-carboxylic acid Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-6-benzyloxy-5-methoxy-3-(3,4,5-trimethoxyphenyl)sulfanyl-indole-2-carboxylic acid CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-5-methoxy-6-phenylmethoxy-3-[(3,4,5-trimethoxyphenyl)thio]-2-indolecarboxylic acid IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-5-methoxy-6-phenylmethoxy-3-(3,4,5-trimethoxyphenyl)sulfanylindole-2-carboxylic acid Traditional Name: 6-benzoxy-5-methoxy-1-piperonyl-3-[(3,4,5-trimethoxyphenyl)thio]indole-2-carboxylic acid Formula: C34H31NO9S MolecularWeight: 629.67624

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)SC2=C(N(C3=CC(=C(C=C32)OC)OCC4=CC=CC=C4)CC5=CC6=C(C=C5)OCO6)C(=O)O

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)SC2=C(N(C3=CC(=C(C=C32)OC)OCC4=CC=CC=C4)CC5=CC6=C(C=C5)OCO6)C(=O)O

InChI

InChI=1S/C34H31NO9S/c1-38-26-15-23-24(16-28(26)42-18-20-8-6-5-7-9-20)35(17-21-10-11-25-27(12-21)44-19-43-25)31(34(36)37)33(23)45-22-13-29(39-2)32(41-4)30(14-22)40-3/h5-16H,17-19H2,1-4H3,(H,36,37)