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

Systemtic Name: 2-[7-(4-hexoxyphenyl)carbonyl-2,3-dihydro-1-benzothiophen-5-yl]propanoic acid Openeye Name: 2-[7-(4-hexoxybenzoyl)-2,3-dihydrobenzothiophen-5-yl]propanoic acid CAS Name: 2-[7-[(4-hexoxyphenyl)-oxomethyl]-2,3-dihydro-1-benzothiophen-5-yl]propanoic acid IUPAC Name: 2-[7-(4-hexoxybenzoyl)-2,3-dihydro-1-benzothiophen-5-yl]propanoic acid Traditional Name: 2-[7-(4-hexoxybenzoyl)-2,3-dihydrobenzothiophen-5-yl]propionic acid Formula: C24H28O4S MolecularWeight: 412.54172

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C(=O)C2=CC(=CC3=C2SCC3)C(C)C(=O)O

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)C(=O)C2=CC(=CC3=C2SCC3)C(C)C(=O)O

InChI

InChI=1S/C24H28O4S/c1-3-4-5-6-12-28-20-9-7-17(8-10-20)22(25)21-15-19(16(2)24(26)27)14-18-11-13-29-23(18)21/h7-10,14-16H,3-6,11-13H2,1-2H3,(H,26,27)