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

Systemtic Name: 2-[4-(2,3-dimethylbenzo[f][1]benzothiol-4-yl)-2-propan-2-yl-phenoxy]-3-phenyl-propanoic acid Openeye Name: 2-[4-(2,3-dimethylbenzo[f]benzothiophen-4-yl)-2-isopropyl-phenoxy]-3-phenyl-propanoic acid CAS Name: 2-[4-(2,3-dimethyl-4-benzo[f][1]benzothiolyl)-2-propan-2-ylphenoxy]-3-phenylpropanoic acid IUPAC Name: 2-[4-(2,3-dimethylbenzo[f][1]benzothiol-4-yl)-2-propan-2-ylphenoxy]-3-phenylpropanoic acid Traditional Name: 2-[4-(2,3-dimethylbenzo[f]benzothiophen-4-yl)-2-isopropyl-phenoxy]-3-phenyl-propionic acid Formula: C32H30O3S MolecularWeight: 494.6438

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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)C(C)C)C

Isomeric SMILES

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

InChI

InChI=1S/C32H30O3S/c1-19(2)26-17-24(14-15-27(26)35-28(32(33)34)16-22-10-6-5-7-11-22)31-25-13-9-8-12-23(25)18-29-30(31)20(3)21(4)36-29/h5-15,17-19,28H,16H2,1-4H3,(H,33,34)