2-[7-(2,4,6-trimethylphenyl)carbonyl-2,3-dihydro-1-benzothiophen-5-yl]propanoic acid

Systemtic Name: 2-[7-(2,4,6-trimethylphenyl)carbonyl-2,3-dihydro-1-benzothiophen-5-yl]propanoic acid Openeye Name: 2-[7-(2,4,6-trimethylbenzoyl)-2,3-dihydrobenzothiophen-5-yl]propanoic acid CAS Name: 2-[7-[oxo-(2,4,6-trimethylphenyl)methyl]-2,3-dihydro-1-benzothiophen-5-yl]propanoic acid IUPAC Name: 2-[7-(2,4,6-trimethylbenzoyl)-2,3-dihydro-1-benzothiophen-5-yl]propanoic acid Traditional Name: 2-[7-(2,4,6-trimethylbenzoyl)-2,3-dihydrobenzothiophen-5-yl]propionic acid Formula: C21H22O3S MolecularWeight: 354.46258

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)C(=O)C2=CC(=CC3=C2SCC3)C(C)C(=O)O)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)C(=O)C2=CC(=CC3=C2SCC3)C(C)C(=O)O)C

InChI

InChI=1S/C21H22O3S/c1-11-7-12(2)18(13(3)8-11)19(22)17-10-16(14(4)21(23)24)9-15-5-6-25-20(15)17/h7-10,14H,5-6H2,1-4H3,(H,23,24)