2-[3-tert-butylsulfanyl-1-[(4-chlorophenyl)methyl]-5-(quinolin-2-ylmethoxy)indol-2-yl]-2-ethoxy-ethanoic acid

Systemtic Name: 2-[3-tert-butylsulfanyl-1-[(4-chlorophenyl)methyl]-5-(quinolin-2-ylmethoxy)indol-2-yl]-2-ethoxy-ethanoic acid Openeye Name: 2-[3-tert-butylsulfanyl-1-[(4-chlorophenyl)methyl]-5-(2-quinolylmethoxy)indol-2-yl]-2-ethoxy-acetic acid CAS Name: 2-[3-(tert-butylthio)-1-[(4-chlorophenyl)methyl]-5-(2-quinolinylmethoxy)-2-indolyl]-2-ethoxyacetic acid IUPAC Name: 2-[3-tert-butylsulfanyl-1-[(4-chlorophenyl)methyl]-5-(quinolin-2-ylmethoxy)indol-2-yl]-2-ethoxyacetic acid Traditional Name: 2-[3-(tert-butylthio)-1-(4-chlorobenzyl)-5-(2-quinolylmethoxy)indol-2-yl]-2-ethoxy-acetic acid Formula: C33H33ClN2O4S MolecularWeight: 589.14412

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(C1=C(C2=C(N1CC3=CC=C(C=C3)Cl)C=CC(=C2)OCC4=NC5=CC=CC=C5C=C4)SC(C)(C)C)C(=O)O

Isomeric SMILES

CCOC(C1=C(C2=C(N1CC3=CC=C(C=C3)Cl)C=CC(=C2)OCC4=NC5=CC=CC=C5C=C4)SC(C)(C)C)C(=O)O

InChI

InChI=1S/C33H33ClN2O4S/c1-5-39-30(32(37)38)29-31(41-33(2,3)4)26-18-25(40-20-24-15-12-22-8-6-7-9-27(22)35-24)16-17-28(26)36(29)19-21-10-13-23(34)14-11-21/h6-18,30H,5,19-20H2,1-4H3,(H,37,38)