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

Systemtic Name: ethyl 3,3-dimethyl-5-[5-[3-(4-pentylphenyl)propanoyl]thiophen-2-yl]pentanoate Openeye Name: ethyl 3,3-dimethyl-5-[5-[3-(4-pentylphenyl)propanoyl]-2-thienyl]pentanoate CAS Name: 3,3-dimethyl-5-[5-[1-oxo-3-(4-pentylphenyl)propyl]-2-thiophenyl]pentanoic acid ethyl ester IUPAC Name: ethyl 3,3-dimethyl-5-[5-[3-(4-pentylphenyl)propanoyl]thiophen-2-yl]pentanoate Traditional Name: 5-[5-[3-(4-amylphenyl)propanoyl]-2-thienyl]-3,3-dimethyl-valeric acid ethyl ester Formula: C27H38O3S MolecularWeight: 442.65382

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)CCC(=O)C2=CC=C(S2)CCC(C)(C)CC(=O)OCC

Isomeric SMILES

CCCCCC1=CC=C(C=C1)CCC(=O)C2=CC=C(S2)CCC(C)(C)CC(=O)OCC

InChI

InChI=1S/C27H38O3S/c1-5-7-8-9-21-10-12-22(13-11-21)14-16-24(28)25-17-15-23(31-25)18-19-27(3,4)20-26(29)30-6-2/h10-13,15,17H,5-9,14,16,18-20H2,1-4H3