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

Systemtic Name: ethyl 3-tert-butylsulfanyl-1-[(4-chlorophenyl)methyl]-5-methoxy-indole-2-carboxylate Openeye Name: ethyl 3-tert-butylsulfanyl-1-[(4-chlorophenyl)methyl]-5-methoxy-indole-2-carboxylate CAS Name: 3-(tert-butylthio)-1-[(4-chlorophenyl)methyl]-5-methoxy-2-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 3-tert-butylsulfanyl-1-[(4-chlorophenyl)methyl]-5-methoxyindole-2-carboxylate Traditional Name: 3-(tert-butylthio)-1-(4-chlorobenzyl)-5-methoxy-indole-2-carboxylic acid ethyl ester Formula: C23H26ClNO3S MolecularWeight: 431.97544

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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)OC)SC(C)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C23H26ClNO3S/c1-6-28-22(26)20-21(29-23(2,3)4)18-13-17(27-5)11-12-19(18)25(20)14-15-7-9-16(24)10-8-15/h7-13H,6,14H2,1-5H3