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

Systemtic Name: 3-[3-tert-butylsulfanyl-1-[(4-chlorophenyl)methyl]-5-(quinolin-2-ylmethoxy)indol-2-yl]-2-methyl-propanoic acid Openeye Name: 3-[3-tert-butylsulfanyl-1-[(4-chlorophenyl)methyl]-5-(2-quinolylmethoxy)indol-2-yl]-2-methyl-propanoic acid CAS Name: 3-[3-(tert-butylthio)-1-[(4-chlorophenyl)methyl]-5-(2-quinolinylmethoxy)-2-indolyl]-2-methylpropanoic acid IUPAC Name: 3-[3-tert-butylsulfanyl-1-[(4-chlorophenyl)methyl]-5-(quinolin-2-ylmethoxy)indol-2-yl]-2-methylpropanoic acid Traditional Name: 3-[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(CC1=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

CC(CC1=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/C33H33ClN2O3S/c1-21(32(37)38)17-30-31(40-33(2,3)4)27-18-26(39-20-25-14-11-23-7-5-6-8-28(23)35-25)15-16-29(27)36(30)19-22-9-12-24(34)13-10-22/h5-16,18,21H,17,19-20H2,1-4H3,(H,37,38)