2-acetyloxy-4-[4-[2-[(4-bromophenyl)methyl]-4,5-dimethyl-thiophen-3-yl]carbonyl-2-cyclopentyl-phenoxy]sulfonyl-benzoic acid

Systemtic Name: 2-acetyloxy-4-[4-[2-[(4-bromophenyl)methyl]-4,5-dimethyl-thiophen-3-yl]carbonyl-2-cyclopentyl-phenoxy]sulfonyl-benzoic acid Openeye Name: 2-acetoxy-4-[4-[2-[(4-bromophenyl)methyl]-4,5-dimethyl-thiophene-3-carbonyl]-2-cyclopentyl-phenoxy]sulfonyl-benzoic acid CAS Name: 2-acetyloxy-4-[4-[[2-[(4-bromophenyl)methyl]-4,5-dimethyl-3-thiophenyl]-oxomethyl]-2-cyclopentylphenoxy]sulfonylbenzoic acid IUPAC Name: 2-acetyloxy-4-[4-[2-[(4-bromophenyl)methyl]-4,5-dimethylthiophene-3-carbonyl]-2-cyclopentylphenoxy]sulfonylbenzoic acid Traditional Name: 2-acetoxy-4-[4-[2-(4-bromobenzyl)-4,5-dimethyl-thiophene-3-carbonyl]-2-cyclopentyl-phenoxy]sulfonyl-benzoic acid Formula: C34H31BrO8S2 MolecularWeight: 711.63914

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)C2=CC(=C(C=C2)OS(=O)(=O)C3=CC(=C(C=C3)C(=O)O)OC(=O)C)C4CCCC4)CC5=CC=C(C=C5)Br)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)C2=CC(=C(C=C2)OS(=O)(=O)C3=CC(=C(C=C3)C(=O)O)OC(=O)C)C4CCCC4)CC5=CC=C(C=C5)Br)C

InChI

InChI=1S/C34H31BrO8S2/c1-19-20(2)44-31(16-22-8-11-25(35)12-9-22)32(19)33(37)24-10-15-29(28(17-24)23-6-4-5-7-23)43-45(40,41)26-13-14-27(34(38)39)30(18-26)42-21(3)36/h8-15,17-18,23H,4-7,16H2,1-3H3,(H,38,39)