ethyl 2-[1-[(4-chlorophenyl)methyl]-5-fluoranyl-3-methylsulfanyl-indol-2-yl]propanoate

Systemtic Name: ethyl 2-[1-[(4-chlorophenyl)methyl]-5-fluoranyl-3-methylsulfanyl-indol-2-yl]propanoate Openeye Name: ethyl 2-[1-[(4-chlorophenyl)methyl]-5-fluoro-3-methylsulfanyl-indol-2-yl]propanoate CAS Name: 2-[1-[(4-chlorophenyl)methyl]-5-fluoro-3-(methylthio)-2-indolyl]propanoic acid ethyl ester IUPAC Name: ethyl 2-[1-[(4-chlorophenyl)methyl]-5-fluoro-3-methylsulfanylindol-2-yl]propanoate Traditional Name: 2-[1-(4-chlorobenzyl)-5-fluoro-3-(methylthio)indol-2-yl]propionic acid ethyl ester Formula: C21H21ClFNO2S MolecularWeight: 405.913343

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21ClFNO2S/c1-4-26-21(25)13(2)19-20(27-3)17-11-16(23)9-10-18(17)24(19)12-14-5-7-15(22)8-6-14/h5-11,13H,4,12H2,1-3H3