4-[2-cyclopentyl-4-[4,5-dimethyl-2-(phenylmethyl)thiophen-3-yl]carbonyl-phenoxy]sulfonyl-2-oxidanyl-benzoic acid

Systemtic Name: 4-[2-cyclopentyl-4-[4,5-dimethyl-2-(phenylmethyl)thiophen-3-yl]carbonyl-phenoxy]sulfonyl-2-oxidanyl-benzoic acid Openeye Name: 4-[4-(2-benzyl-4,5-dimethyl-thiophene-3-carbonyl)-2-cyclopentyl-phenoxy]sulfonyl-2-hydroxy-benzoic acid CAS Name: 4-[2-cyclopentyl-4-[[4,5-dimethyl-2-(phenylmethyl)-3-thiophenyl]-oxomethyl]phenoxy]sulfonyl-2-hydroxybenzoic acid IUPAC Name: 4-[4-(2-benzyl-4,5-dimethylthiophene-3-carbonyl)-2-cyclopentylphenoxy]sulfonyl-2-hydroxybenzoic acid Traditional Name: 4-[4-(2-benzyl-4,5-dimethyl-thiophene-3-carbonyl)-2-cyclopentyl-phenoxy]sulfonyl-2-hydroxy-benzoic acid Formula: C32H30O7S2 MolecularWeight: 590.7064

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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)O)C4CCCC4)CC5=CC=CC=C5)C

Isomeric SMILES

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

InChI

InChI=1S/C32H30O7S2/c1-19-20(2)40-29(16-21-8-4-3-5-9-21)30(19)31(34)23-12-15-28(26(17-23)22-10-6-7-11-22)39-41(37,38)24-13-14-25(32(35)36)27(33)18-24/h3-5,8-9,12-15,17-18,22,33H,6-7,10-11,16H2,1-2H3,(H,35,36)