1-[(4-chlorophenyl)methyl]-5-(quinolin-2-ylmethoxy)-3-(quinolin-2-ylmethylsulfanyl)indole-2-carboxylic acid

Systemtic Name: 1-[(4-chlorophenyl)methyl]-5-(quinolin-2-ylmethoxy)-3-(quinolin-2-ylmethylsulfanyl)indole-2-carboxylic acid Openeye Name: 1-[(4-chlorophenyl)methyl]-5-(2-quinolylmethoxy)-3-(2-quinolylmethylsulfanyl)indole-2-carboxylic acid CAS Name: 1-[(4-chlorophenyl)methyl]-5-(2-quinolinylmethoxy)-3-(2-quinolinylmethylthio)-2-indolecarboxylic acid IUPAC Name: 1-[(4-chlorophenyl)methyl]-5-(quinolin-2-ylmethoxy)-3-(quinolin-2-ylmethylsulfanyl)indole-2-carboxylic acid Traditional Name: 1-(4-chlorobenzyl)-5-(2-quinolylmethoxy)-3-(2-quinolylmethylthio)indole-2-carboxylic acid Formula: C36H26ClN3O3S MolecularWeight: 616.12794

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC(=N2)COC3=CC4=C(C=C3)N(C(=C4SCC5=NC6=CC=CC=C6C=C5)C(=O)O)CC7=CC=C(C=C7)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C=CC(=N2)COC3=CC4=C(C=C3)N(C(=C4SCC5=NC6=CC=CC=C6C=C5)C(=O)O)CC7=CC=C(C=C7)Cl

InChI

InChI=1S/C36H26ClN3O3S/c37-26-13-9-23(10-14-26)20-40-33-18-17-29(43-21-27-15-11-24-5-1-3-7-31(24)38-27)19-30(33)35(34(40)36(41)42)44-22-28-16-12-25-6-2-4-8-32(25)39-28/h1-19H,20-22H2,(H,41,42)