4-[5-(3-cyclopentyloxy-4-methoxy-phenyl)-3-(1H-imidazol-2-ylsulfanylmethyl)thiophen-2-yl]benzoic acid

Systemtic Name: 4-[5-(3-cyclopentyloxy-4-methoxy-phenyl)-3-(1H-imidazol-2-ylsulfanylmethyl)thiophen-2-yl]benzoic acid Openeye Name: 4-[5-[3-(cyclopentoxy)-4-methoxy-phenyl]-3-(1H-imidazol-2-ylsulfanylmethyl)-2-thienyl]benzoic acid CAS Name: 4-[5-(3-cyclopentyloxy-4-methoxyphenyl)-3-[(1H-imidazol-2-ylthio)methyl]-2-thiophenyl]benzoic acid IUPAC Name: 4-[5-(3-cyclopentyloxy-4-methoxyphenyl)-3-(1H-imidazol-2-ylsulfanylmethyl)thiophen-2-yl]benzoic acid Traditional Name: 4-[5-[3-(cyclopentoxy)-4-methoxy-phenyl]-3-[(1H-imidazol-2-ylthio)methyl]-2-thienyl]benzoic acid Formula: C27H26N2O4S2 MolecularWeight: 506.63634

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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=NC=CN4)OC5CCCC5

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CC(=C(S2)C3=CC=C(C=C3)C(=O)O)CSC4=NC=CN4)OC5CCCC5

InChI

InChI=1S/C27H26N2O4S2/c1-32-22-11-10-19(14-23(22)33-21-4-2-3-5-21)24-15-20(16-34-27-28-12-13-29-27)25(35-24)17-6-8-18(9-7-17)26(30)31/h6-15,21H,2-5,16H2,1H3,(H,28,29)(H,30,31)