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

Systemtic Name: 2-acetyloxy-4-[4-[2-[(2-bromophenyl)methyl]-4,5-dimethyl-thiophen-3-yl]carbonyl-2-cyclopentyl-phenoxy]sulfonyl-benzoic acid Openeye Name: 2-acetoxy-4-[4-[2-[(2-bromophenyl)methyl]-4,5-dimethyl-thiophene-3-carbonyl]-2-cyclopentyl-phenoxy]sulfonyl-benzoic acid CAS Name: 2-acetyloxy-4-[4-[[2-[(2-bromophenyl)methyl]-4,5-dimethyl-3-thiophenyl]-oxomethyl]-2-cyclopentylphenoxy]sulfonylbenzoic acid IUPAC Name: 2-acetyloxy-4-[4-[2-[(2-bromophenyl)methyl]-4,5-dimethylthiophene-3-carbonyl]-2-cyclopentylphenoxy]sulfonylbenzoic acid Traditional Name: 2-acetoxy-4-[4-[2-(2-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=CC=C5Br)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=CC=C5Br)C

InChI

InChI=1S/C34H31BrO8S2/c1-19-20(2)44-31(17-23-10-6-7-11-28(23)35)32(19)33(37)24-12-15-29(27(16-24)22-8-4-5-9-22)43-45(40,41)25-13-14-26(34(38)39)30(18-25)42-21(3)36/h6-7,10-16,18,22H,4-5,8-9,17H2,1-3H3,(H,38,39)