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

Systemtic Name: 4-[5-(3-cyclopentyloxy-4-methoxy-phenyl)-3-(thiophen-2-ylsulfanylmethyl)thiophen-2-yl]benzoic acid Openeye Name: 4-[5-[3-(cyclopentoxy)-4-methoxy-phenyl]-3-(2-thienylsulfanylmethyl)-2-thienyl]benzoic acid CAS Name: 4-[5-(3-cyclopentyloxy-4-methoxyphenyl)-3-[(thiophen-2-ylthio)methyl]-2-thiophenyl]benzoic acid IUPAC Name: 4-[5-(3-cyclopentyloxy-4-methoxyphenyl)-3-(thiophen-2-ylsulfanylmethyl)thiophen-2-yl]benzoic acid Traditional Name: 4-[5-[3-(cyclopentoxy)-4-methoxy-phenyl]-3-[(2-thienylthio)methyl]-2-thienyl]benzoic acid Formula: C28H26O4S3 MolecularWeight: 522.69864

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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=CS4)OC5CCCC5

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CC(=C(S2)C3=CC=C(C=C3)C(=O)O)CSC4=CC=CS4)OC5CCCC5

InChI

InChI=1S/C28H26O4S3/c1-31-23-13-12-20(15-24(23)32-22-5-2-3-6-22)25-16-21(17-34-26-7-4-14-33-26)27(35-25)18-8-10-19(11-9-18)28(29)30/h4,7-16,22H,2-3,5-6,17H2,1H3,(H,29,30)