ethyl 5-[5-[3-(2,4-dimethylphenyl)propanoyl]thiophen-2-yl]-3-methyl-pentanoate

Systemtic Name: ethyl 5-[5-[3-(2,4-dimethylphenyl)propanoyl]thiophen-2-yl]-3-methyl-pentanoate Openeye Name: ethyl 5-[5-[3-(2,4-dimethylphenyl)propanoyl]-2-thienyl]-3-methyl-pentanoate CAS Name: 5-[5-[3-(2,4-dimethylphenyl)-1-oxopropyl]-2-thiophenyl]-3-methylpentanoic acid ethyl ester IUPAC Name: ethyl 5-[5-[3-(2,4-dimethylphenyl)propanoyl]thiophen-2-yl]-3-methylpentanoate Traditional Name: 5-[5-[3-(2,4-dimethylphenyl)propanoyl]-2-thienyl]-3-methyl-valeric acid ethyl ester Formula: C23H30O3S MolecularWeight: 386.5475

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30O3S/c1-5-26-23(25)15-17(3)7-10-20-11-13-22(27-20)21(24)12-9-19-8-6-16(2)14-18(19)4/h6,8,11,13-14,17H,5,7,9-10,12,15H2,1-4H3