[1-[4-[2-(4-fluorophenyl)sulfanylethyl]phenyl]-5-oxidanylidene-hexan-3-yl] 3-methoxybutanoate

Systemtic Name: [1-[4-[2-(4-fluorophenyl)sulfanylethyl]phenyl]-5-oxidanylidene-hexan-3-yl] 3-methoxybutanoate Openeye Name: [1-[2-[4-[2-(4-fluorophenyl)sulfanylethyl]phenyl]ethyl]-3-oxo-butyl] 3-methoxybutanoate CAS Name: 3-methoxybutanoic acid [1-[4-[2-[(4-fluorophenyl)thio]ethyl]phenyl]-5-oxohexan-3-yl] ester IUPAC Name: [1-[4-[2-(4-fluorophenyl)sulfanylethyl]phenyl]-5-oxohexan-3-yl] 3-methoxybutanoate Traditional Name: 3-methoxybutyric acid [1-[2-[4-[2-[(4-fluorophenyl)thio]ethyl]phenyl]ethyl]-3-keto-butyl] ester Formula: C25H31FO4S MolecularWeight: 446.574643

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)OC(CCC1=CC=C(C=C1)CCSC2=CC=C(C=C2)F)CC(=O)C)OC

Isomeric SMILES

CC(CC(=O)OC(CCC1=CC=C(C=C1)CCSC2=CC=C(C=C2)F)CC(=O)C)OC

InChI

InChI=1S/C25H31FO4S/c1-18(27)16-23(30-25(28)17-19(2)29-3)11-8-20-4-6-21(7-5-20)14-15-31-24-12-9-22(26)10-13-24/h4-7,9-10,12-13,19,23H,8,11,14-17H2,1-3H3