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

Systemtic Name: 4-[5-(3-cyclopentyloxy-4-methoxy-phenyl)-3-(pyridin-2-ylsulfanylmethyl)thiophen-2-yl]benzoic acid Openeye Name: 4-[5-[3-(cyclopentoxy)-4-methoxy-phenyl]-3-(2-pyridylsulfanylmethyl)-2-thienyl]benzoic acid CAS Name: 4-[5-(3-cyclopentyloxy-4-methoxyphenyl)-3-[(2-pyridinylthio)methyl]-2-thiophenyl]benzoic acid IUPAC Name: 4-[5-(3-cyclopentyloxy-4-methoxyphenyl)-3-(pyridin-2-ylsulfanylmethyl)thiophen-2-yl]benzoic acid Traditional Name: 4-[5-[3-(cyclopentoxy)-4-methoxy-phenyl]-3-[(2-pyridylthio)methyl]-2-thienyl]benzoic acid Formula: C29H27NO4S2 MolecularWeight: 517.65898

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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=CC=CC=N4)OC5CCCC5

Isomeric SMILES

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

InChI

InChI=1S/C29H27NO4S2/c1-33-24-14-13-21(16-25(24)34-23-6-2-3-7-23)26-17-22(18-35-27-8-4-5-15-30-27)28(36-26)19-9-11-20(12-10-19)29(31)32/h4-5,8-17,23H,2-3,6-7,18H2,1H3,(H,31,32)