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

Systemtic Name: 3-[3-tert-butylsulfanyl-1-[(4-chlorophenyl)methyl]-5-methoxy-indol-2-yl]-2,2-dimethyl-propanoic acid Openeye Name: 3-[3-tert-butylsulfanyl-1-[(4-chlorophenyl)methyl]-5-methoxy-indol-2-yl]-2,2-dimethyl-propanoic acid CAS Name: 3-[3-(tert-butylthio)-1-[(4-chlorophenyl)methyl]-5-methoxy-2-indolyl]-2,2-dimethylpropanoic acid IUPAC Name: 3-[3-tert-butylsulfanyl-1-[(4-chlorophenyl)methyl]-5-methoxyindol-2-yl]-2,2-dimethylpropanoic acid Traditional Name: 3-[3-(tert-butylthio)-1-(4-chlorobenzyl)-5-methoxy-indol-2-yl]-2,2-dimethyl-propionic acid Formula: C25H30ClNO3S MolecularWeight: 460.0286

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)SC1=C(N(C2=C1C=C(C=C2)OC)CC3=CC=C(C=C3)Cl)CC(C)(C)C(=O)O

Isomeric SMILES

CC(C)(C)SC1=C(N(C2=C1C=C(C=C2)OC)CC3=CC=C(C=C3)Cl)CC(C)(C)C(=O)O

InChI

InChI=1S/C25H30ClNO3S/c1-24(2,3)31-22-19-13-18(30-6)11-12-20(19)27(15-16-7-9-17(26)10-8-16)21(22)14-25(4,5)23(28)29/h7-13H,14-15H2,1-6H3,(H,28,29)