ethyl 3-[3-tert-butylsulfanyl-1-[(4-chlorophenyl)methyl]-5-oxidanyl-indol-2-yl]-2,2-dimethyl-propanoate

Systemtic Name: ethyl 3-[3-tert-butylsulfanyl-1-[(4-chlorophenyl)methyl]-5-oxidanyl-indol-2-yl]-2,2-dimethyl-propanoate Openeye Name: ethyl 3-[3-tert-butylsulfanyl-1-[(4-chlorophenyl)methyl]-5-hydroxy-indol-2-yl]-2,2-dimethyl-propanoate CAS Name: 3-[3-(tert-butylthio)-1-[(4-chlorophenyl)methyl]-5-hydroxy-2-indolyl]-2,2-dimethylpropanoic acid ethyl ester IUPAC Name: ethyl 3-[3-tert-butylsulfanyl-1-[(4-chlorophenyl)methyl]-5-hydroxyindol-2-yl]-2,2-dimethylpropanoate Traditional Name: 3-[3-(tert-butylthio)-1-(4-chlorobenzyl)-5-hydroxy-indol-2-yl]-2,2-dimethyl-propionic acid ethyl ester Formula: C26H32ClNO3S MolecularWeight: 474.05518

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)(C)CC1=C(C2=C(N1CC3=CC=C(C=C3)Cl)C=CC(=C2)O)SC(C)(C)C

Isomeric SMILES

CCOC(=O)C(C)(C)CC1=C(C2=C(N1CC3=CC=C(C=C3)Cl)C=CC(=C2)O)SC(C)(C)C

InChI

InChI=1S/C26H32ClNO3S/c1-7-31-24(30)26(5,6)15-22-23(32-25(2,3)4)20-14-19(29)12-13-21(20)28(22)16-17-8-10-18(27)11-9-17/h8-14,29H,7,15-16H2,1-6H3