ethyl 5-[5-[3-(4-fluorophenyl)propanoyl]thiophen-2-yl]-3,3-dimethyl-pentanoate

Systemtic Name: ethyl 5-[5-[3-(4-fluorophenyl)propanoyl]thiophen-2-yl]-3,3-dimethyl-pentanoate Openeye Name: ethyl 5-[5-[3-(4-fluorophenyl)propanoyl]-2-thienyl]-3,3-dimethyl-pentanoate CAS Name: 5-[5-[3-(4-fluorophenyl)-1-oxopropyl]-2-thiophenyl]-3,3-dimethylpentanoic acid ethyl ester IUPAC Name: ethyl 5-[5-[3-(4-fluorophenyl)propanoyl]thiophen-2-yl]-3,3-dimethylpentanoate Traditional Name: 5-[5-[3-(4-fluorophenyl)propanoyl]-2-thienyl]-3,3-dimethyl-valeric acid ethyl ester Formula: C22H27FO3S MolecularWeight: 390.511383

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C)(C)CCC1=CC=C(S1)C(=O)CCC2=CC=C(C=C2)F

Isomeric SMILES

CCOC(=O)CC(C)(C)CCC1=CC=C(S1)C(=O)CCC2=CC=C(C=C2)F

InChI

InChI=1S/C22H27FO3S/c1-4-26-21(25)15-22(2,3)14-13-18-10-12-20(27-18)19(24)11-7-16-5-8-17(23)9-6-16/h5-6,8-10,12H,4,7,11,13-15H2,1-3H3