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

Systemtic Name: 4-[3-(1H-benzimidazol-2-ylsulfanylmethyl)-5-(3-cyclopentyloxy-4-methoxy-phenyl)thiophen-2-yl]benzoic acid Openeye Name: 4-[3-(1H-benzimidazol-2-ylsulfanylmethyl)-5-[3-(cyclopentoxy)-4-methoxy-phenyl]-2-thienyl]benzoic acid CAS Name: 4-[3-[(1H-benzimidazol-2-ylthio)methyl]-5-(3-cyclopentyloxy-4-methoxyphenyl)-2-thiophenyl]benzoic acid IUPAC Name: 4-[3-(1H-benzimidazol-2-ylsulfanylmethyl)-5-(3-cyclopentyloxy-4-methoxyphenyl)thiophen-2-yl]benzoic acid Traditional Name: 4-[3-[(1H-benzimidazol-2-ylthio)methyl]-5-[3-(cyclopentoxy)-4-methoxy-phenyl]-2-thienyl]benzoic acid Formula: C31H28N2O4S2 MolecularWeight: 556.69502

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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=NC5=CC=CC=C5N4)OC6CCCC6

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CC(=C(S2)C3=CC=C(C=C3)C(=O)O)CSC4=NC5=CC=CC=C5N4)OC6CCCC6

InChI

InChI=1S/C31H28N2O4S2/c1-36-26-15-14-21(16-27(26)37-23-6-2-3-7-23)28-17-22(18-38-31-32-24-8-4-5-9-25(24)33-31)29(39-28)19-10-12-20(13-11-19)30(34)35/h4-5,8-17,23H,2-3,6-7,18H2,1H3,(H,32,33)(H,34,35)