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

Systemtic Name: 3-[3-tert-butylsulfanyl-1-[(4-chlorophenyl)methyl]-5-phenyl-indol-2-yl]-2,2-dimethyl-propanoic acid Openeye Name: 3-[3-tert-butylsulfanyl-1-[(4-chlorophenyl)methyl]-5-phenyl-indol-2-yl]-2,2-dimethyl-propanoic acid CAS Name: 3-[3-(tert-butylthio)-1-[(4-chlorophenyl)methyl]-5-phenyl-2-indolyl]-2,2-dimethylpropanoic acid IUPAC Name: 3-[3-tert-butylsulfanyl-1-[(4-chlorophenyl)methyl]-5-phenylindol-2-yl]-2,2-dimethylpropanoic acid Traditional Name: 3-[3-(tert-butylthio)-1-(4-chlorobenzyl)-5-phenyl-indol-2-yl]-2,2-dimethyl-propionic acid Formula: C30H32ClNO2S MolecularWeight: 506.09858

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)SC1=C(N(C2=C1C=C(C=C2)C3=CC=CC=C3)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)C3=CC=CC=C3)CC4=CC=C(C=C4)Cl)CC(C)(C)C(=O)O

InChI

InChI=1S/C30H32ClNO2S/c1-29(2,3)35-27-24-17-22(21-9-7-6-8-10-21)13-16-25(24)32(19-20-11-14-23(31)15-12-20)26(27)18-30(4,5)28(33)34/h6-17H,18-19H2,1-5H3,(H,33,34)