3-[3-tert-butylsulfanyl-1-[(4-chlorophenyl)methyl]-5-pyridin-2-yloxy-indol-2-yl]-2,2-dimethyl-propanoic acid

Systemtic Name: 3-[3-tert-butylsulfanyl-1-[(4-chlorophenyl)methyl]-5-pyridin-2-yloxy-indol-2-yl]-2,2-dimethyl-propanoic acid Openeye Name: 3-[3-tert-butylsulfanyl-1-[(4-chlorophenyl)methyl]-5-(2-pyridyloxy)indol-2-yl]-2,2-dimethyl-propanoic acid CAS Name: 3-[3-(tert-butylthio)-1-[(4-chlorophenyl)methyl]-5-(2-pyridinyloxy)-2-indolyl]-2,2-dimethylpropanoic acid IUPAC Name: 3-[3-tert-butylsulfanyl-1-[(4-chlorophenyl)methyl]-5-pyridin-2-yloxyindol-2-yl]-2,2-dimethylpropanoic acid Traditional Name: 3-[3-(tert-butylthio)-1-(4-chlorobenzyl)-5-(2-pyridyloxy)indol-2-yl]-2,2-dimethyl-propionic acid Formula: C29H31ClN2O3S MolecularWeight: 523.08604

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)SC1=C(N(C2=C1C=C(C=C2)OC3=CC=CC=N3)CC4=CC=C(C=C4)Cl)CC(C)(C)C(=O)O

Isomeric SMILES

CC(C)(C)SC1=C(N(C2=C1C=C(C=C2)OC3=CC=CC=N3)CC4=CC=C(C=C4)Cl)CC(C)(C)C(=O)O

InChI

InChI=1S/C29H31ClN2O3S/c1-28(2,3)36-26-22-16-21(35-25-8-6-7-15-31-25)13-14-23(22)32(18-19-9-11-20(30)12-10-19)24(26)17-29(4,5)27(33)34/h6-16H,17-18H2,1-5H3,(H,33,34)