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

Systemtic Name: ethyl 5-[5-[3-(3-fluorophenyl)propanoyl]thiophen-2-yl]-3,3-dimethyl-pentanoate Openeye Name: ethyl 5-[5-[3-(3-fluorophenyl)propanoyl]-2-thienyl]-3,3-dimethyl-pentanoate CAS Name: 5-[5-[3-(3-fluorophenyl)-1-oxopropyl]-2-thiophenyl]-3,3-dimethylpentanoic acid ethyl ester IUPAC Name: ethyl 5-[5-[3-(3-fluorophenyl)propanoyl]thiophen-2-yl]-3,3-dimethylpentanoate Traditional Name: 5-[5-[3-(3-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(=CC=C2)F

Isomeric SMILES

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

InChI

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