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

Systemtic Name: 2-[2-cyclopentyl-4-(2,3-dimethylbenzo[f][1]benzothiol-4-yl)phenoxy]-3-phenyl-propanoic acid Openeye Name: 2-[2-cyclopentyl-4-(2,3-dimethylbenzo[f]benzothiophen-4-yl)phenoxy]-3-phenyl-propanoic acid CAS Name: 2-[2-cyclopentyl-4-(2,3-dimethyl-4-benzo[f][1]benzothiolyl)phenoxy]-3-phenylpropanoic acid IUPAC Name: 2-[2-cyclopentyl-4-(2,3-dimethylbenzo[f][1]benzothiol-4-yl)phenoxy]-3-phenylpropanoic acid Traditional Name: 2-[2-cyclopentyl-4-(2,3-dimethylbenzo[f]benzothiophen-4-yl)phenoxy]-3-phenyl-propionic acid Formula: C34H32O3S MolecularWeight: 520.68108

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=CC3=CC=CC=C3C(=C12)C4=CC(=C(C=C4)OC(CC5=CC=CC=C5)C(=O)O)C6CCCC6)C

Isomeric SMILES

CC1=C(SC2=CC3=CC=CC=C3C(=C12)C4=CC(=C(C=C4)OC(CC5=CC=CC=C5)C(=O)O)C6CCCC6)C

InChI

InChI=1S/C34H32O3S/c1-21-22(2)38-31-20-25-14-8-9-15-27(25)33(32(21)31)26-16-17-29(28(19-26)24-12-6-7-13-24)37-30(34(35)36)18-23-10-4-3-5-11-23/h3-5,8-11,14-17,19-20,24,30H,6-7,12-13,18H2,1-2H3,(H,35,36)