(2E,4E)-5-[3-[3-cyclopentyl-5-ethyl-2-(3-fluoranylpropoxy)phenyl]thiophen-2-yl]-3-methyl-penta-2,4-dienoic acid

Systemtic Name: (2E,4E)-5-[3-[3-cyclopentyl-5-ethyl-2-(3-fluoranylpropoxy)phenyl]thiophen-2-yl]-3-methyl-penta-2,4-dienoic acid Openeye Name: (2E,4E)-5-[3-[3-cyclopentyl-5-ethyl-2-(3-fluoropropoxy)phenyl]-2-thienyl]-3-methyl-penta-2,4-dienoic acid CAS Name: (2E,4E)-5-[3-[3-cyclopentyl-5-ethyl-2-(3-fluoropropoxy)phenyl]-2-thiophenyl]-3-methylpenta-2,4-dienoic acid IUPAC Name: (2E,4E)-5-[3-[3-cyclopentyl-5-ethyl-2-(3-fluoropropoxy)phenyl]thiophen-2-yl]-3-methylpenta-2,4-dienoic acid Traditional Name: (2E,4E)-5-[3-[3-cyclopentyl-5-ethyl-2-(3-fluoropropoxy)phenyl]-2-thienyl]-3-methyl-penta-2,4-dienoic acid Formula: C26H31FO3S MolecularWeight: 442.585943

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C(=C1)C2=C(SC=C2)C=CC(=CC(=O)O)C)OCCCF)C3CCCC3

Isomeric SMILES

CCC1=CC(=C(C(=C1)C2=C(SC=C2)/C=C/C(=C/C(=O)O)/C)OCCCF)C3CCCC3

InChI

InChI=1S/C26H31FO3S/c1-3-19-16-22(20-7-4-5-8-20)26(30-13-6-12-27)23(17-19)21-11-14-31-24(21)10-9-18(2)15-25(28)29/h9-11,14-17,20H,3-8,12-13H2,1-2H3,(H,28,29)/b10-9+,18-15+