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

Systemtic Name: 2-[3-tert-butylsulfanyl-1-[(4-chlorophenyl)methyl]-5-(quinolin-2-ylmethoxy)indol-2-yl]-2-methyl-propanoic acid Openeye Name: 2-[3-tert-butylsulfanyl-1-[(4-chlorophenyl)methyl]-5-(2-quinolylmethoxy)indol-2-yl]-2-methyl-propanoic acid CAS Name: 2-[3-(tert-butylthio)-1-[(4-chlorophenyl)methyl]-5-(2-quinolinylmethoxy)-2-indolyl]-2-methylpropanoic acid IUPAC Name: 2-[3-tert-butylsulfanyl-1-[(4-chlorophenyl)methyl]-5-(quinolin-2-ylmethoxy)indol-2-yl]-2-methylpropanoic acid Traditional Name: 2-[3-(tert-butylthio)-1-(4-chlorobenzyl)-5-(2-quinolylmethoxy)indol-2-yl]-2-methyl-propionic acid Formula: C33H33ClN2O3S MolecularWeight: 573.14472

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)SC1=C(N(C2=C1C=C(C=C2)OCC3=NC4=CC=CC=C4C=C3)CC5=CC=C(C=C5)Cl)C(C)(C)C(=O)O

Isomeric SMILES

CC(C)(C)SC1=C(N(C2=C1C=C(C=C2)OCC3=NC4=CC=CC=C4C=C3)CC5=CC=C(C=C5)Cl)C(C)(C)C(=O)O

InChI

InChI=1S/C33H33ClN2O3S/c1-32(2,3)40-29-26-18-25(39-20-24-15-12-22-8-6-7-9-27(22)35-24)16-17-28(26)36(30(29)33(4,5)31(37)38)19-21-10-13-23(34)14-11-21/h6-18H,19-20H2,1-5H3,(H,37,38)