ethyl 3-tert-butylsulfanyl-1-[(4-chlorophenyl)methyl]-5-oxidanyl-indole-2-carboxylate

Systemtic Name: ethyl 3-tert-butylsulfanyl-1-[(4-chlorophenyl)methyl]-5-oxidanyl-indole-2-carboxylate Openeye Name: ethyl 3-tert-butylsulfanyl-1-[(4-chlorophenyl)methyl]-5-hydroxy-indole-2-carboxylate CAS Name: 3-(tert-butylthio)-1-[(4-chlorophenyl)methyl]-5-hydroxy-2-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 3-tert-butylsulfanyl-1-[(4-chlorophenyl)methyl]-5-hydroxyindole-2-carboxylate Traditional Name: 3-(tert-butylthio)-1-(4-chlorobenzyl)-5-hydroxy-indole-2-carboxylic acid ethyl ester Formula: C22H24ClNO3S MolecularWeight: 417.94886

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24ClNO3S/c1-5-27-21(26)19-20(28-22(2,3)4)17-12-16(25)10-11-18(17)24(19)13-14-6-8-15(23)9-7-14/h6-12,25H,5,13H2,1-4H3