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

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-6-methoxy-3-(3-methoxyphenyl)sulfanyl-5-phenylmethoxy-indole-2-carboxylic acid Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-5-benzyloxy-6-methoxy-3-(3-methoxyphenyl)sulfanyl-indole-2-carboxylic acid CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-6-methoxy-3-[(3-methoxyphenyl)thio]-5-phenylmethoxy-2-indolecarboxylic acid IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-6-methoxy-3-(3-methoxyphenyl)sulfanyl-5-phenylmethoxyindole-2-carboxylic acid Traditional Name: 5-benzoxy-6-methoxy-3-[(3-methoxyphenyl)thio]-1-piperonyl-indole-2-carboxylic acid Formula: C32H27NO7S MolecularWeight: 569.62428

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC=C1)SC2=C(N(C3=CC(=C(C=C32)OCC4=CC=CC=C4)OC)CC5=CC6=C(C=C5)OCO6)C(=O)O

Isomeric SMILES

COC1=CC(=CC=C1)SC2=C(N(C3=CC(=C(C=C32)OCC4=CC=CC=C4)OC)CC5=CC6=C(C=C5)OCO6)C(=O)O

InChI

InChI=1S/C32H27NO7S/c1-36-22-9-6-10-23(14-22)41-31-24-15-29(38-18-20-7-4-3-5-8-20)27(37-2)16-25(24)33(30(31)32(34)35)17-21-11-12-26-28(13-21)40-19-39-26/h3-16H,17-19H2,1-2H3,(H,34,35)