4-[5-(3-cyclopentyloxy-4-methoxy-phenyl)-3-[(3-oxidanylpyridin-2-yl)sulfanylmethyl]thiophen-2-yl]benzoic acid

Systemtic Name: 4-[5-(3-cyclopentyloxy-4-methoxy-phenyl)-3-[(3-oxidanylpyridin-2-yl)sulfanylmethyl]thiophen-2-yl]benzoic acid Openeye Name: 4-[5-[3-(cyclopentoxy)-4-methoxy-phenyl]-3-[(3-hydroxy-2-pyridyl)sulfanylmethyl]-2-thienyl]benzoic acid CAS Name: 4-[5-(3-cyclopentyloxy-4-methoxyphenyl)-3-[[(3-hydroxy-2-pyridinyl)thio]methyl]-2-thiophenyl]benzoic acid IUPAC Name: 4-[5-(3-cyclopentyloxy-4-methoxyphenyl)-3-[(3-hydroxypyridin-2-yl)sulfanylmethyl]thiophen-2-yl]benzoic acid Traditional Name: 4-[5-[3-(cyclopentoxy)-4-methoxy-phenyl]-3-[[(3-hydroxy-2-pyridyl)thio]methyl]-2-thienyl]benzoic acid Formula: C29H27NO5S2 MolecularWeight: 533.65838

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CC(=C(S2)C3=CC=C(C=C3)C(=O)O)CSC4=C(C=CC=N4)O)OC5CCCC5

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CC(=C(S2)C3=CC=C(C=C3)C(=O)O)CSC4=C(C=CC=N4)O)OC5CCCC5

InChI

InChI=1S/C29H27NO5S2/c1-34-24-13-12-20(15-25(24)35-22-5-2-3-6-22)26-16-21(17-36-28-23(31)7-4-14-30-28)27(37-26)18-8-10-19(11-9-18)29(32)33/h4,7-16,22,31H,2-3,5-6,17H2,1H3,(H,32,33)