3-[2-cyclopentyl-4-(2,3-dimethylbenzo[f][1]benzothiol-4-yl)phenoxy]propanoic acid

Systemtic Name: 3-[2-cyclopentyl-4-(2,3-dimethylbenzo[f][1]benzothiol-4-yl)phenoxy]propanoic acid Openeye Name: 3-[2-cyclopentyl-4-(2,3-dimethylbenzo[f]benzothiophen-4-yl)phenoxy]propanoic acid CAS Name: 3-[2-cyclopentyl-4-(2,3-dimethyl-4-benzo[f][1]benzothiolyl)phenoxy]propanoic acid IUPAC Name: 3-[2-cyclopentyl-4-(2,3-dimethylbenzo[f][1]benzothiol-4-yl)phenoxy]propanoic acid Traditional Name: 3-[2-cyclopentyl-4-(2,3-dimethylbenzo[f]benzothiophen-4-yl)phenoxy]propionic acid Formula: C28H28O3S MolecularWeight: 444.58512

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=CC3=CC=CC=C3C(=C12)C4=CC(=C(C=C4)OCCC(=O)O)C5CCCC5)C

Isomeric SMILES

CC1=C(SC2=CC3=CC=CC=C3C(=C12)C4=CC(=C(C=C4)OCCC(=O)O)C5CCCC5)C

InChI

InChI=1S/C28H28O3S/c1-17-18(2)32-25-16-20-9-5-6-10-22(20)28(27(17)25)21-11-12-24(31-14-13-26(29)30)23(15-21)19-7-3-4-8-19/h5-6,9-12,15-16,19H,3-4,7-8,13-14H2,1-2H3,(H,29,30)