ethyl 2-[2-(1-ethanoylpiperidin-4-yl)carbonyl-5-fluoranyl-phenyl]sulfanyl-2-phenyl-ethanoate

Systemtic Name: ethyl 2-[2-(1-ethanoylpiperidin-4-yl)carbonyl-5-fluoranyl-phenyl]sulfanyl-2-phenyl-ethanoate Openeye Name: ethyl 2-[2-(1-acetylpiperidine-4-carbonyl)-5-fluoro-phenyl]sulfanyl-2-phenyl-acetate CAS Name: 2-[[2-[(1-acetyl-4-piperidinyl)-oxomethyl]-5-fluorophenyl]thio]-2-phenylacetic acid ethyl ester IUPAC Name: ethyl 2-[2-(1-acetylpiperidine-4-carbonyl)-5-fluorophenyl]sulfanyl-2-phenylacetate Traditional Name: 2-[[2-(1-acetylisonipecotoyl)-5-fluoro-phenyl]thio]-2-phenyl-acetic acid ethyl ester Formula: C24H26FNO4S MolecularWeight: 443.530943

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C1=CC=CC=C1)SC2=C(C=CC(=C2)F)C(=O)C3CCN(CC3)C(=O)C

Isomeric SMILES

CCOC(=O)C(C1=CC=CC=C1)SC2=C(C=CC(=C2)F)C(=O)C3CCN(CC3)C(=O)C

InChI

InChI=1S/C24H26FNO4S/c1-3-30-24(29)23(18-7-5-4-6-8-18)31-21-15-19(25)9-10-20(21)22(28)17-11-13-26(14-12-17)16(2)27/h4-10,15,17,23H,3,11-14H2,1-2H3