1-[[2-(carboxymethyloxy)-4-methoxy-phenyl]methyl]-5,6-dimethoxy-3-(3-methoxyphenyl)sulfanyl-indole-2-carboxylic acid

Systemtic Name: 1-[[2-(carboxymethyloxy)-4-methoxy-phenyl]methyl]-5,6-dimethoxy-3-(3-methoxyphenyl)sulfanyl-indole-2-carboxylic acid Openeye Name: 1-[[2-(carboxymethyloxy)-4-methoxy-phenyl]methyl]-5,6-dimethoxy-3-(3-methoxyphenyl)sulfanyl-indole-2-carboxylic acid CAS Name: 1-[[2-(carboxymethyloxy)-4-methoxyphenyl]methyl]-5,6-dimethoxy-3-[(3-methoxyphenyl)thio]-2-indolecarboxylic acid IUPAC Name: 1-[[2-(carboxymethyloxy)-4-methoxyphenyl]methyl]-5,6-dimethoxy-3-(3-methoxyphenyl)sulfanylindole-2-carboxylic acid Traditional Name: 1-[2-(carboxymethyloxy)-4-methoxy-benzyl]-5,6-dimethoxy-3-[(3-methoxyphenyl)thio]indole-2-carboxylic acid Formula: C28H27NO9S MolecularWeight: 553.58028

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC=C1)SC2=C(N(C3=CC(=C(C=C32)OC)OC)CC4=C(C=C(C=C4)OC)OCC(=O)O)C(=O)O

Isomeric SMILES

COC1=CC(=CC=C1)SC2=C(N(C3=CC(=C(C=C32)OC)OC)CC4=C(C=C(C=C4)OC)OCC(=O)O)C(=O)O

InChI

InChI=1S/C28H27NO9S/c1-34-17-6-5-7-19(10-17)39-27-20-12-23(36-3)24(37-4)13-21(20)29(26(27)28(32)33)14-16-8-9-18(35-2)11-22(16)38-15-25(30)31/h5-13H,14-15H2,1-4H3,(H,30,31)(H,32,33)