3-[3-tert-butylsulfanyl-1-[(4-chlorophenyl)methyl]-4,6-dimethyl-5-phenyl-indol-2-yl]propanoic acid

Systemtic Name: 3-[3-tert-butylsulfanyl-1-[(4-chlorophenyl)methyl]-4,6-dimethyl-5-phenyl-indol-2-yl]propanoic acid Openeye Name: 3-[3-tert-butylsulfanyl-1-[(4-chlorophenyl)methyl]-4,6-dimethyl-5-phenyl-indol-2-yl]propanoic acid CAS Name: 3-[3-(tert-butylthio)-1-[(4-chlorophenyl)methyl]-4,6-dimethyl-5-phenyl-2-indolyl]propanoic acid IUPAC Name: 3-[3-tert-butylsulfanyl-1-[(4-chlorophenyl)methyl]-4,6-dimethyl-5-phenylindol-2-yl]propanoic acid Traditional Name: 3-[3-(tert-butylthio)-1-(4-chlorobenzyl)-4,6-dimethyl-5-phenyl-indol-2-yl]propionic acid Formula: C30H32ClNO2S MolecularWeight: 506.09858

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C(=C1C3=CC=CC=C3)C)C(=C(N2CC4=CC=C(C=C4)Cl)CCC(=O)O)SC(C)(C)C

Isomeric SMILES

CC1=CC2=C(C(=C1C3=CC=CC=C3)C)C(=C(N2CC4=CC=C(C=C4)Cl)CCC(=O)O)SC(C)(C)C

InChI

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