2-[4-[3-(6-bromanyl-3-methyl-1-benzothiophen-2-yl)propoxy]-2-methyl-phenoxy]-2-methyl-propanoic acid

Systemtic Name: 2-[4-[3-(6-bromanyl-3-methyl-1-benzothiophen-2-yl)propoxy]-2-methyl-phenoxy]-2-methyl-propanoic acid Openeye Name: 2-[4-[3-(6-bromo-3-methyl-benzothiophen-2-yl)propoxy]-2-methyl-phenoxy]-2-methyl-propanoic acid CAS Name: 2-[4-[3-(6-bromo-3-methyl-1-benzothiophen-2-yl)propoxy]-2-methylphenoxy]-2-methylpropanoic acid IUPAC Name: 2-[4-[3-(6-bromo-3-methyl-1-benzothiophen-2-yl)propoxy]-2-methylphenoxy]-2-methylpropanoic acid Traditional Name: 2-[4-[3-(6-bromo-3-methyl-benzothiophen-2-yl)propoxy]-2-methyl-phenoxy]-2-methyl-propionic acid Formula: C23H25BrO4S MolecularWeight: 477.4112

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCCCC2=C(C3=C(S2)C=C(C=C3)Br)C)OC(C)(C)C(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)OCCCC2=C(C3=C(S2)C=C(C=C3)Br)C)OC(C)(C)C(=O)O

InChI

InChI=1S/C23H25BrO4S/c1-14-12-17(8-10-19(14)28-23(3,4)22(25)26)27-11-5-6-20-15(2)18-9-7-16(24)13-21(18)29-20/h7-10,12-13H,5-6,11H2,1-4H3,(H,25,26)