3-[3-tert-butylsulfanyl-1-[(4-chlorophenyl)methyl]-5-prop-2-enoxy-indol-2-yl]-2,2-dimethyl-butanoic acid

Systemtic Name: 3-[3-tert-butylsulfanyl-1-[(4-chlorophenyl)methyl]-5-prop-2-enoxy-indol-2-yl]-2,2-dimethyl-butanoic acid Openeye Name: 3-[5-allyloxy-3-tert-butylsulfanyl-1-[(4-chlorophenyl)methyl]indol-2-yl]-2,2-dimethyl-butanoic acid CAS Name: 3-[3-(tert-butylthio)-1-[(4-chlorophenyl)methyl]-5-prop-2-enoxy-2-indolyl]-2,2-dimethylbutanoic acid IUPAC Name: 3-[3-tert-butylsulfanyl-1-[(4-chlorophenyl)methyl]-5-prop-2-enoxyindol-2-yl]-2,2-dimethylbutanoic acid Traditional Name: 3-[5-allyloxy-3-(tert-butylthio)-1-(4-chlorobenzyl)indol-2-yl]-2,2-dimethyl-butyric acid Formula: C28H34ClNO3S MolecularWeight: 500.09246

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=C(C2=C(N1CC3=CC=C(C=C3)Cl)C=CC(=C2)OCC=C)SC(C)(C)C)C(C)(C)C(=O)O

Isomeric SMILES

CC(C1=C(C2=C(N1CC3=CC=C(C=C3)Cl)C=CC(=C2)OCC=C)SC(C)(C)C)C(C)(C)C(=O)O

InChI

InChI=1S/C28H34ClNO3S/c1-8-15-33-21-13-14-23-22(16-21)25(34-27(3,4)5)24(18(2)28(6,7)26(31)32)30(23)17-19-9-11-20(29)12-10-19/h8-14,16,18H,1,15,17H2,2-7H3,(H,31,32)