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

Systemtic Name: ethyl 2-[3-tert-butylsulfanyl-1-[(4-chlorophenyl)methyl]-5-oxidanyl-indol-2-yl]ethanoate Openeye Name: ethyl 2-[3-tert-butylsulfanyl-1-[(4-chlorophenyl)methyl]-5-hydroxy-indol-2-yl]acetate CAS Name: 2-[3-(tert-butylthio)-1-[(4-chlorophenyl)methyl]-5-hydroxy-2-indolyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[3-tert-butylsulfanyl-1-[(4-chlorophenyl)methyl]-5-hydroxyindol-2-yl]acetate Traditional Name: 2-[3-(tert-butylthio)-1-(4-chlorobenzyl)-5-hydroxy-indol-2-yl]acetic acid ethyl ester Formula: C23H26ClNO3S MolecularWeight: 431.97544

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26ClNO3S/c1-5-28-21(27)13-20-22(29-23(2,3)4)18-12-17(26)10-11-19(18)25(20)14-15-6-8-16(24)9-7-15/h6-12,26H,5,13-14H2,1-4H3