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

Systemtic Name: ethyl 2-[1-[(4-chlorophenyl)methyl]-5-fluoranyl-3-phenylsulfanyl-indol-2-yl]ethanoate Openeye Name: ethyl 2-[1-[(4-chlorophenyl)methyl]-5-fluoro-3-phenylsulfanyl-indol-2-yl]acetate CAS Name: 2-[1-[(4-chlorophenyl)methyl]-5-fluoro-3-(phenylthio)-2-indolyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[1-[(4-chlorophenyl)methyl]-5-fluoro-3-phenylsulfanylindol-2-yl]acetate Traditional Name: 2-[1-(4-chlorobenzyl)-5-fluoro-3-(phenylthio)indol-2-yl]acetic acid ethyl ester Formula: C25H21ClFNO2S MolecularWeight: 453.956143

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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)F)SC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)CC1=C(C2=C(N1CC3=CC=C(C=C3)Cl)C=CC(=C2)F)SC4=CC=CC=C4

InChI

InChI=1S/C25H21ClFNO2S/c1-2-30-24(29)15-23-25(31-20-6-4-3-5-7-20)21-14-19(27)12-13-22(21)28(23)16-17-8-10-18(26)11-9-17/h3-14H,2,15-16H2,1H3