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

Systemtic Name: ethyl 3-tert-butylsulfanyl-1-[(4-chlorophenyl)methyl]-5-oxidanyl-4-prop-2-enyl-indole-2-carboxylate Openeye Name: ethyl 4-allyl-3-tert-butylsulfanyl-1-[(4-chlorophenyl)methyl]-5-hydroxy-indole-2-carboxylate CAS Name: 3-(tert-butylthio)-1-[(4-chlorophenyl)methyl]-5-hydroxy-4-prop-2-enyl-2-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 3-tert-butylsulfanyl-1-[(4-chlorophenyl)methyl]-5-hydroxy-4-prop-2-enylindole-2-carboxylate Traditional Name: 4-allyl-3-(tert-butylthio)-1-(4-chlorobenzyl)-5-hydroxy-indole-2-carboxylic acid ethyl ester Formula: C25H28ClNO3S MolecularWeight: 458.01272

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N1CC3=CC=C(C=C3)Cl)C=CC(=C2CC=C)O)SC(C)(C)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N1CC3=CC=C(C=C3)Cl)C=CC(=C2CC=C)O)SC(C)(C)C

InChI

InChI=1S/C25H28ClNO3S/c1-6-8-18-20(28)14-13-19-21(18)23(31-25(3,4)5)22(24(29)30-7-2)27(19)15-16-9-11-17(26)12-10-16/h6,9-14,28H,1,7-8,15H2,2-5H3